N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide

C14H29N3O2 — CID 142575651

IUPACN-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H](CCN)C(N)=O
InChIInChI=1S/C14H29N3O2/c1-2-3-4-5-6-7-8-9-13(18)17-12(10-11-15)14(16)19/h12H,2-11,15H2,1H3,(H2,16,19)(H,17,18)/t12-/m1/s1
InChIKeyLPJMLPYJKGJZFZ-GFCCVEGCSA-N
MW271.40 g/mol
LogP1.45
Rot. Bonds12

About N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide

N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide (PubChem CID 142575651) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide.

Molecular Properties

Compound NameN-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
PubChem CID142575651
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H](CCN)C(N)=O
InChIInChI=1S/C14H29N3O2/c1-2-3-4-5-6-7-8-9-13(18)17-12(10-11-15)14(16)19/h12H,2-11,15H2,1H3,(H2,16,19)(H,17,18)/t12-/m1/s1
InChIKeyLPJMLPYJKGJZFZ-GFCCVEGCSA-N
XLogP1.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.45
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

(Z)-N-[(2S)-1,4-diamino-1-oxobutan-2-yl]octadec-9-enamide
CID 58668219
N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]decanamide
CID 73212204
N-[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]hexadecanamide
CID 73212161
N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
(Z)-N-(1-amino-1-oxooctadecan-2-yl)docos-13-enamide
CID 139916190
(Z)-2-(octadecanoylamino)docos-13-enamide
CID 175456361
N-[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 53325952
4-amino-3-(hexadecanoylamino)-4-oxobutanoic acid
CID 91591572
(2S)-2-(decanoylamino)butanediamide
CID 54547398
N-(4-aminobutan-2-yl)octanamide
CID 62087208
12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide
CID 147465259
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide?
The IUPAC name of N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide (CID 142575651) is N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide.
What is the SMILES notation for N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide?
The canonical SMILES for N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide is CCCCCCCCCC(=O)N[C@H](CCN)C(N)=O.
What is the InChIKey of N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide?
The InChIKey is LPJMLPYJKGJZFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-2-3-4-5-6-7-8-9-13(18)17-12(10-11-15)14(16)19/h12H,2-11,15H2,1H3,(H2,16,19)(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide?
N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide has a molecular weight of 271.40 g/mol, XLogP of 1.45, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide is sourced from PubChem (CID 142575651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).