(2S)-2-(decanoylamino)butanediamide

C14H27N3O3 — CID 54547398

IUPAC(2S)-2-(decanoylamino)butanediamide
SMILESCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(N)=O
InChIInChI=1S/C14H27N3O3/c1-2-3-4-5-6-7-8-9-13(19)17-11(14(16)20)10-12(15)18/h11H,2-10H2,1H3,(H2,15,18)(H2,16,20)(H,17,19)/t11-/m0/s1
InChIKeyZHMFGGCPVYNRII-NSHDSACASA-N
MW285.39 g/mol
LogP0.97
Rot. Bonds12

About (2S)-2-(decanoylamino)butanediamide

(2S)-2-(decanoylamino)butanediamide (PubChem CID 54547398) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-(decanoylamino)butanediamide.

Molecular Properties

Compound Name(2S)-2-(decanoylamino)butanediamide
PubChem CID54547398
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2S)-2-(decanoylamino)butanediamide
SMILESCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(N)=O
InChIInChI=1S/C14H27N3O3/c1-2-3-4-5-6-7-8-9-13(19)17-11(14(16)20)10-12(15)18/h11H,2-10H2,1H3,(H2,15,18)(H2,16,20)(H,17,19)/t11-/m0/s1
InChIKeyZHMFGGCPVYNRII-NSHDSACASA-N
XLogP0.97
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(hexadecanoylamino)-4-oxobutanoic acid
CID 91591572
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
(2S)-4-amino-4-oxo-2-[[(Z)-pentadec-9-enoyl]amino]butanoic acid
CID 171116631
N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
CID 142575651
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
4-[[4-amino-2-(dodecanoylamino)-4-oxobutanoyl]amino]butanoic acid
CID 174194142
(2R)-N-methoxy-N-methyl-2-(octanoylamino)butanediamide
CID 162387523
(5S)-5-chloro-6,6-dimethyl-3-(octanoylamino)-4-oxoheptanamide
CID 166884598
(2S)-4-amino-2-[[2-(dodecanoylamino)acetyl]amino]-4-oxobutanoic acid
CID 175700078
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
(Z)-N-(1-amino-1-oxooctadecan-2-yl)docos-13-enamide
CID 139916190

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(decanoylamino)butanediamide?
The IUPAC name of (2S)-2-(decanoylamino)butanediamide (CID 54547398) is (2S)-2-(decanoylamino)butanediamide.
What is the SMILES notation for (2S)-2-(decanoylamino)butanediamide?
The canonical SMILES for (2S)-2-(decanoylamino)butanediamide is CCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(N)=O.
What is the InChIKey of (2S)-2-(decanoylamino)butanediamide?
The InChIKey is ZHMFGGCPVYNRII-NSHDSACASA-N. The full InChI is InChI=1S/C14H27N3O3/c1-2-3-4-5-6-7-8-9-13(19)17-11(14(16)20)10-12(15)18/h11H,2-10H2,1H3,(H2,15,18)(H2,16,20)(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(decanoylamino)butanediamide?
(2S)-2-(decanoylamino)butanediamide has a molecular weight of 285.39 g/mol, XLogP of 0.97, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(decanoylamino)butanediamide is sourced from PubChem (CID 54547398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).