N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide

C9H16N2O3 — CID 163998663

IUPACN-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide
SMILESCCCC(=O)NCC(=O)N[C@@H](C)C=O
InChIInChI=1S/C9H16N2O3/c1-3-4-8(13)10-5-9(14)11-7(2)6-12/h6-7H,3-5H2,1-2H3,(H,10,13)(H,11,14)/t7-/m0/s1
InChIKeyUGZFNPBURJMDNM-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.39
Rot. Bonds6

About N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide

N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide (PubChem CID 163998663) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide
PubChem CID163998663
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide
SMILESCCCC(=O)NCC(=O)N[C@@H](C)C=O
InChIInChI=1S/C9H16N2O3/c1-3-4-8(13)10-5-9(14)11-7(2)6-12/h6-7H,3-5H2,1-2H3,(H,10,13)(H,11,14)/t7-/m0/s1
InChIKeyUGZFNPBURJMDNM-ZETCQYMHSA-N
XLogP-0.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide?
The IUPAC name of N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide (CID 163998663) is N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide is CCCC(=O)NCC(=O)N[C@@H](C)C=O.
What is the InChIKey of N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide?
The InChIKey is UGZFNPBURJMDNM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-4-8(13)10-5-9(14)11-7(2)6-12/h6-7H,3-5H2,1-2H3,(H,10,13)(H,11,14)/t7-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide?
N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide has a molecular weight of 200.24 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide is sourced from PubChem (CID 163998663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).