3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid

C13H24N2O4 — CID 119191273

IUPAC3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CCCC(=O)NC(C)C
InChIInChI=1S/C13H24N2O4/c1-4-15(9-8-13(18)19)12(17)7-5-6-11(16)14-10(2)3/h10H,4-9H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyNZVZMYAQXLQZFG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds9

About 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid

3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid (PubChem CID 119191273) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
PubChem CID119191273
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CCCC(=O)NC(C)C
InChIInChI=1S/C13H24N2O4/c1-4-15(9-8-13(18)19)12(17)7-5-6-11(16)14-10(2)3/h10H,4-9H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyNZVZMYAQXLQZFG-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid
CID 119193019
(2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 119194062
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
N,N'-di(propan-2-yl)decanediamide
CID 58997511
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
2-[ethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 62626788
2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
CID 119223676
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
CID 62328666

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid (CID 119191273) is 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)CCCC(=O)NC(C)C.
What is the InChIKey of 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid?
The InChIKey is NZVZMYAQXLQZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-15(9-8-13(18)19)12(17)7-5-6-11(16)14-10(2)3/h10H,4-9H2,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid?
3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid is sourced from PubChem (CID 119191273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).