3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid

C16H24N2O3 — CID 60839757

IUPAC3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid
SMILESCCCC(C)NC(=O)CN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-7-13(2)17-15(19)12-18(11-10-16(20)21)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyBHZIPVBGNOXTIQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.27
Rot. Bonds9

About 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid

3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid (PubChem CID 60839757) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid
PubChem CID60839757
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid
SMILESCCCC(C)NC(=O)CN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-7-13(2)17-15(19)12-18(11-10-16(20)21)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyBHZIPVBGNOXTIQ-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid
CID 60833216
2-[3-(N-ethylanilino)propanoylamino]propanoic acid
CID 82042584
4-[N-(2-methylpentyl)anilino]butanoic acid
CID 62265556
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
3-[N-(2-bromoprop-2-enyl)anilino]propanoic acid
CID 60873032
3-(2-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]anilino)propanoic acid
CID 62625910
2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide
CID 63231608
2-[N-(4-methylpentyl)anilino]acetic acid
CID 83158703
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
3-(N-[2-(2-cyanoethylamino)-2-oxoethyl]anilino)propanoic acid
CID 60839580
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid?
The IUPAC name of 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid (CID 60839757) is 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid.
What is the SMILES notation for 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid?
The canonical SMILES for 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid is CCCC(C)NC(=O)CN(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid?
The InChIKey is BHZIPVBGNOXTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-7-13(2)17-15(19)12-18(11-10-16(20)21)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid?
3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid is sourced from PubChem (CID 60839757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).