3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid

C16H22N2O3 — CID 115340620

IUPAC3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
SMILESCCCN(C(=O)Nc1cccc(CCC(=O)O)c1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-2-10-18(14-7-8-14)16(21)17-13-5-3-4-12(11-13)6-9-15(19)20/h3-5,11,14H,2,6-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyVPTRRPBSUILFIC-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.11
Rot. Bonds7

About 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid

3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid (PubChem CID 115340620) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
PubChem CID115340620
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
SMILESCCCN(C(=O)Nc1cccc(CCC(=O)O)c1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-2-10-18(14-7-8-14)16(21)17-13-5-3-4-12(11-13)6-9-15(19)20/h3-5,11,14H,2,6-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyVPTRRPBSUILFIC-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
3-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340617
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 61194740
3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60838182
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
3-[3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340723
3-[3-[[4-(ethylaminomethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 167940625
3-[3-[bis(prop-2-enyl)carbamoylamino]phenyl]propanoic acid
CID 115340495

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid (CID 115340620) is 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid is CCCN(C(=O)Nc1cccc(CCC(=O)O)c1)C1CC1.
What is the InChIKey of 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid?
The InChIKey is VPTRRPBSUILFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-10-18(14-7-8-14)16(21)17-13-5-3-4-12(11-13)6-9-15(19)20/h3-5,11,14H,2,6-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid?
3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 115340620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).