(2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide

C18H35N3O6 — CID 118889957

IUPAC(2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide
SMILESCCCC(=O)N(C)[C@H](CC(CO)CO)C(=O)N(C)[C@@H](CC(C)(C)O)C(N)=O
InChIInChI=1S/C18H35N3O6/c1-6-7-15(24)20(4)13(8-12(10-22)11-23)17(26)21(5)14(16(19)25)9-18(2,3)27/h12-14,22-23,27H,6-11H2,1-5H3,(H2,19,25)/t13-,14+/m1/s1
InChIKeyZAZDGKLTFXIZLF-KGLIPLIRSA-N
MW389.49 g/mol
LogP-0.92
Rot. Bonds12

About (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide

(2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide (PubChem CID 118889957) has the molecular formula C18H35N3O6 and a molecular weight of 389.49 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide
PubChem CID118889957
Molecular FormulaC18H35N3O6
Molecular Weight389.49 g/mol
Exact Mass389.25
IUPAC Name(2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide
SMILESCCCC(=O)N(C)[C@H](CC(CO)CO)C(=O)N(C)[C@@H](CC(C)(C)O)C(N)=O
InChIInChI=1S/C18H35N3O6/c1-6-7-15(24)20(4)13(8-12(10-22)11-23)17(26)21(5)14(16(19)25)9-18(2,3)27/h12-14,22-23,27H,6-11H2,1-5H3,(H2,19,25)/t13-,14+/m1/s1
InChIKeyZAZDGKLTFXIZLF-KGLIPLIRSA-N
XLogP-0.92
TPSA144.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[butanoyl(methyl)amino]-3-[(2E)-2-[2-(diethylamino)ethylidene]pentyl]sulfanylpropanoyl]-methylamino]-4-hydroxy-4-methylpentanamide
CID 118889759
(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]-2-hydroxyacetyl]-methylamino]-4-methylpentanamide
CID 90429913
(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]-2-propan-2-ylsulfanylacetyl]-methylamino]-4-methylpentanamide
CID 118882604
(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]-4-(dimethylamino)butanoyl]-methylamino]-3-methylbutanamide
CID 118028464
(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]-2-[3-[ethyl(propan-2-yl)amino]propylsulfanyl]acetyl]-methylamino]-4-methoxy-4-methylpentanamide
CID 129027932
N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide
CID 123689568
(2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide
CID 90397090
dimethyl 2-[4-[(1R)-1-[butanoyl(methyl)amino]-2-[[(2S)-4-hydroxy-4-methyl-1-[[methyl-[[methyl(methylcarbamoyl)carbamoyl]carbamoylcarbamoyl]carbamoyl]amino]-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]sulfanylbutyl]propanedioate
CID 90430020
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide
CID 122467702
(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]butanoyl]-methylamino]-4-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]pentanamide
CID 121479438
4-hydroxy-2,4-dimethylpentanamide
CID 89306477
2-[methyl(propyl)amino]butanamide
CID 62900463

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide?
The IUPAC name of (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide (CID 118889957) is (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide?
The canonical SMILES for (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide is CCCC(=O)N(C)[C@H](CC(CO)CO)C(=O)N(C)[C@@H](CC(C)(C)O)C(N)=O.
What is the InChIKey of (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide?
The InChIKey is ZAZDGKLTFXIZLF-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H35N3O6/c1-6-7-15(24)20(4)13(8-12(10-22)11-23)17(26)21(5)14(16(19)25)9-18(2,3)27/h12-14,22-23,27H,6-11H2,1-5H3,(H2,19,25)/t13-,14+/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide?
(2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide has a molecular weight of 389.49 g/mol, XLogP of -0.92, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-4-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[butanoyl(methyl)amino]-5-hydroxy-4-(hydroxymethyl)-N-methylpentanamide is sourced from PubChem (CID 118889957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).