3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid

C15H20N2O3 — CID 115339894

IUPAC3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)CNCC2CC2)c1
InChIInChI=1S/C15H20N2O3/c18-14(10-16-9-12-4-5-12)17-13-3-1-2-11(8-13)6-7-15(19)20/h1-3,8,12,16H,4-7,9-10H2,(H,17,18)(H,19,20)
InChIKeyUISHUAJUNXBPOA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds8

About 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid

3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid (PubChem CID 115339894) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
PubChem CID115339894
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)CNCC2CC2)c1
InChIInChI=1S/C15H20N2O3/c18-14(10-16-9-12-4-5-12)17-13-3-1-2-11(8-13)6-7-15(19)20/h1-3,8,12,16H,4-7,9-10H2,(H,17,18)(H,19,20)
InChIKeyUISHUAJUNXBPOA-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[[4-(ethylaminomethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 167940625
2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride
CID 119754410
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120
3-[3-[[2-(cyclohexanecarbonylamino)acetyl]amino]phenyl]propanoic acid
CID 120613844
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
3-[3-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]phenyl]propanoic acid
CID 120613865
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid (CID 115339894) is 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)CNCC2CC2)c1.
What is the InChIKey of 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid?
The InChIKey is UISHUAJUNXBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(10-16-9-12-4-5-12)17-13-3-1-2-11(8-13)6-7-15(19)20/h1-3,8,12,16H,4-7,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid?
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 115339894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).