2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid

C15H20N2O3 — CID 62878549

IUPAC2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESNCC(C(=O)N(CC(=O)O)CC1CC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c16-8-13(12-4-2-1-3-5-12)15(20)17(10-14(18)19)9-11-6-7-11/h1-5,11,13H,6-10,16H2,(H,18,19)
InChIKeyCOYIDTVPMOMGGP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.05
Rot. Bonds7

About 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid

2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 62878549) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID62878549
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESNCC(C(=O)N(CC(=O)O)CC1CC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c16-8-13(12-4-2-1-3-5-12)15(20)17(10-14(18)19)9-11-6-7-11/h1-5,11,13H,6-10,16H2,(H,18,19)
InChIKeyCOYIDTVPMOMGGP-UHFFFAOYSA-N
XLogP1.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
CID 43655362
cyclopropylmethyl 3-amino-2-phenylpropanoate
CID 62878848
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655313
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
CID 62876627

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid (CID 62878549) is 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid is NCC(C(=O)N(CC(=O)O)CC1CC1)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is COYIDTVPMOMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-8-13(12-4-2-1-3-5-12)15(20)17(10-14(18)19)9-11-6-7-11/h1-5,11,13H,6-10,16H2,(H,18,19).
What are the key properties of 2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 276.34 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-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 62878549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).