2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid

C16H20N2O4 — CID 120517535

IUPAC2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
SMILESCNC(=O)c1cccc(CCC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H20N2O4/c1-17-16(22)12-4-2-3-11(9-12)5-8-14(19)18(10-15(20)21)13-6-7-13/h2-4,9,13H,5-8,10H2,1H3,(H,17,22)(H,20,21)
InChIKeyMVHFAKBSZBLDGT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.05
Rot. Bonds7

About 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid

2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid (PubChem CID 120517535) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
PubChem CID120517535
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
SMILESCNC(=O)c1cccc(CCC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H20N2O4/c1-17-16(22)12-4-2-3-11(9-12)5-8-14(19)18(10-15(20)21)13-6-7-13/h2-4,9,13H,5-8,10H2,1H3,(H,17,22)(H,20,21)
InChIKeyMVHFAKBSZBLDGT-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
2-[3-[3-(methylcarbamoyl)phenyl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 120517155
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
CID 119194779
2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid
CID 119194773
2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cyclooctane-1-carboxylic acid
CID 120532940
3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
CID 46643223
3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide
CID 97239927
2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid
CID 60827367
2-[cyclopropyl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoyl]amino]acetic acid
CID 119194609
1-[3-[3-(methylcarbamoyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 120512559

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid (CID 120517535) is 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid is CNC(=O)c1cccc(CCC(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid?
The InChIKey is MVHFAKBSZBLDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-17-16(22)12-4-2-3-11(9-12)5-8-14(19)18(10-15(20)21)13-6-7-13/h2-4,9,13H,5-8,10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid?
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid is sourced from PubChem (CID 120517535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).