(2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide

C17H24N4O5 — CID 131850946

IUPAC(2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1O)C(=O)N[C@@H](CC(N)=O)C(N)=O
InChIInChI=1S/C17H24N4O5/c1-9(2)7-12(17(26)20-11(15(19)24)8-14(18)23)21-16(25)10-5-3-4-6-13(10)22/h3-6,9,11-12,22H,7-8H2,1-2H3,(H2,18,23)(H2,19,24)(H,20,26)(H,21,25)/t11-,12-/m0/s1
InChIKeyVCLBEUMBIQABLH-RYUDHWBXSA-N
MW364.40 g/mol
LogP-0.62
Rot. Bonds9

About (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide

(2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide (PubChem CID 131850946) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide
PubChem CID131850946
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name(2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide
SMILESCC(C)C[C@H](NC(=O)c1ccccc1O)C(=O)N[C@@H](CC(N)=O)C(N)=O
InChIInChI=1S/C17H24N4O5/c1-9(2)7-12(17(26)20-11(15(19)24)8-14(18)23)21-16(25)10-5-3-4-6-13(10)22/h3-6,9,11-12,22H,7-8H2,1-2H3,(H2,18,23)(H2,19,24)(H,20,26)(H,21,25)/t11-,12-/m0/s1
InChIKeyVCLBEUMBIQABLH-RYUDHWBXSA-N
XLogP-0.62
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 46930259
(2S)-2-[[(2R)-4-amino-2-[(5-amino-2-hydroxybenzoyl)amino]-4-oxobutanoyl]amino]propanoic acid
CID 146381776
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
4-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 18223244
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
methyl (2S)-2-[[(2R,3S)-2-hydroxy-3-[(2-hydroxybenzoyl)amino]-4-phenylbutanoyl]amino]-4-methylpentanoate
CID 101046081
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
(2S)-2-[(2-hydroxybenzoyl)amino]butanedioic acid
CID 3043783
benzyl N-[(2R)-4-amino-1-[[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 7224871
benzyl (3R)-4-amino-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-oxobutanoate
CID 70618534
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide?
The IUPAC name of (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide (CID 131850946) is (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide is CC(C)C[C@H](NC(=O)c1ccccc1O)C(=O)N[C@@H](CC(N)=O)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide?
The InChIKey is VCLBEUMBIQABLH-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-9(2)7-12(17(26)20-11(15(19)24)8-14(18)23)21-16(25)10-5-3-4-6-13(10)22/h3-6,9,11-12,22H,7-8H2,1-2H3,(H2,18,23)(H2,19,24)(H,20,26)(H,21,25)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide?
(2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide has a molecular weight of 364.40 g/mol, XLogP of -0.62, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoyl]amino]butanediamide is sourced from PubChem (CID 131850946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).