3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid

C15H20N2O3 — CID 61157097

IUPAC3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)CNCC1CC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(10-16-9-11-6-7-11)17-13(8-15(19)20)12-4-2-1-3-5-12/h1-5,11,13,16H,6-10H2,(H,17,18)(H,19,20)
InChIKeyDDMBNLXSTGXKLA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds8

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

3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 61157097) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
PubChem CID61157097
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)CNCC1CC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(10-16-9-11-6-7-11)17-13(8-15(19)20)12-4-2-1-3-5-12/h1-5,11,13,16H,6-10H2,(H,17,18)(H,19,20)
InChIKeyDDMBNLXSTGXKLA-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(2-phenoxy-1-phenylethyl)acetamide;hydrochloride
CID 119779869
methyl 4-[[2-(cyclopropylmethylamino)acetyl]amino]-4-phenylbutanoate;hydrochloride
CID 119777938
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid
CID 119114013
N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119750778
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-phenylethyl)acetamide;hydrochloride
CID 119676983
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119687041

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid (CID 61157097) is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid is O=C(O)CC(NC(=O)CNCC1CC1)c1ccccc1.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is DDMBNLXSTGXKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(10-16-9-11-6-7-11)17-13(8-15(19)20)12-4-2-1-3-5-12/h1-5,11,13,16H,6-10H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid?
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 61157097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).