N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide

C11H23N3O3 — CID 174262407

IUPACN-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide
SMILESCC(C)C[C@@H](NC=O)C(O)N[C@H](C=O)CCN
InChIInChI=1S/C11H23N3O3/c1-8(2)5-10(13-7-16)11(17)14-9(6-15)3-4-12/h6-11,14,17H,3-5,12H2,1-2H3,(H,13,16)/t9-,10+,11?/m0/s1
InChIKeyOCZLDZCPTPIDEY-MTULOOOASA-N
MW245.32 g/mol
LogP-1.03
Rot. Bonds10

About N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide

N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide (PubChem CID 174262407) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide
PubChem CID174262407
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide
SMILESCC(C)C[C@@H](NC=O)C(O)N[C@H](C=O)CCN
InChIInChI=1S/C11H23N3O3/c1-8(2)5-10(13-7-16)11(17)14-9(6-15)3-4-12/h6-11,14,17H,3-5,12H2,1-2H3,(H,13,16)/t9-,10+,11?/m0/s1
InChIKeyOCZLDZCPTPIDEY-MTULOOOASA-N
XLogP-1.03
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-formamido-2-hydroxy-5-methylhexanoic acid
CID 101256899
N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide
CID 18642221
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
[(2R)-2-formamido-4-methylpentyl] acetate
CID 45103886
(2S)-2-(ethenylamino)-4-methylpentanal
CID 89018282
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
CID 13227488
N-[(3R)-1-aminohexan-3-yl]formamide
CID 142102579
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
2-aminoethanol;2-hydroxypropanal
CID 88787093
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide?
The IUPAC name of N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide (CID 174262407) is N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide.
What is the SMILES notation for N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide?
The canonical SMILES for N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide is CC(C)C[C@@H](NC=O)C(O)N[C@H](C=O)CCN.
What is the InChIKey of N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide?
The InChIKey is OCZLDZCPTPIDEY-MTULOOOASA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8(2)5-10(13-7-16)11(17)14-9(6-15)3-4-12/h6-11,14,17H,3-5,12H2,1-2H3,(H,13,16)/t9-,10+,11?/m0/s1.
What are the key properties of N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide?
N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide has a molecular weight of 245.32 g/mol, XLogP of -1.03, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2S)-4-amino-1-oxobutan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]formamide is sourced from PubChem (CID 174262407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).