N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide

C11H19N3O5 — CID 167041407

IUPACN-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide
SMILESNC(=O)[C@H](CNC(=O)CCCO)NC(=O)CCC=O
InChIInChI=1S/C11H19N3O5/c12-11(19)8(14-10(18)4-2-6-16)7-13-9(17)3-1-5-15/h6,8,15H,1-5,7H2,(H2,12,19)(H,13,17)(H,14,18)/t8-/m0/s1
InChIKeyFDDKVIXMDSVCLX-QMMMGPOBSA-N
MW273.29 g/mol
LogP-2.18
Rot. Bonds10

About N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide

N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide (PubChem CID 167041407) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide
PubChem CID167041407
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC NameN-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide
SMILESNC(=O)[C@H](CNC(=O)CCCO)NC(=O)CCC=O
InChIInChI=1S/C11H19N3O5/c12-11(19)8(14-10(18)4-2-6-16)7-13-9(17)3-1-5-15/h6,8,15H,1-5,7H2,(H2,12,19)(H,13,17)(H,14,18)/t8-/m0/s1
InChIKeyFDDKVIXMDSVCLX-QMMMGPOBSA-N
XLogP-2.18
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-hydroxybutanoylamino)butanamide
CID 167531373
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
4-oxo-N-propan-2-ylbutanamide
CID 87543114
butyl 2,3-bis(octadecanoylamino)propanoate
CID 88849374
ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide
CID 178158629
(2S)-4-hydroxy-2-(7-oxoheptanoylamino)butanoic acid
CID 91574406
4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
CID 170404242
4-oxo-N-(2-tetradecylhexadecyl)butanamide
CID 135292881
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide
CID 106175507
N-[3-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-(decanoylamino)-3-oxopropyl]decanamide
CID 155518067
4-amino-3-[[3-amino-2-[2,3-bis(hexadecanoylamino)propanoylamino]propanoyl]amino]-4-oxobutanoic acid
CID 20576105

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide?
The IUPAC name of N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide (CID 167041407) is N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide?
The canonical SMILES for N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide is NC(=O)[C@H](CNC(=O)CCCO)NC(=O)CCC=O.
What is the InChIKey of N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide?
The InChIKey is FDDKVIXMDSVCLX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O5/c12-11(19)8(14-10(18)4-2-6-16)7-13-9(17)3-1-5-15/h6,8,15H,1-5,7H2,(H2,12,19)(H,13,17)(H,14,18)/t8-/m0/s1.
What are the key properties of N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide?
N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide has a molecular weight of 273.29 g/mol, XLogP of -2.18, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-3-oxo-2-(4-oxobutanoylamino)propyl]-4-hydroxybutanamide is sourced from PubChem (CID 167041407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).