2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid

C16H22N2O3 — CID 60833703

IUPAC2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
SMILESCC(CNC(=O)CN(CC(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(13-5-3-2-4-6-13)9-17-15(19)10-18(11-16(20)21)14-7-8-14/h2-6,12,14H,7-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyBFZNBQDVLMAADQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds8

About 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid

2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid (PubChem CID 60833703) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
PubChem CID60833703
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
SMILESCC(CNC(=O)CN(CC(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(13-5-3-2-4-6-13)9-17-15(19)10-18(11-16(20)21)14-7-8-14/h2-6,12,14H,7-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyBFZNBQDVLMAADQ-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-oxo-2-(2-phenylpropylamino)ethyl]-prop-2-ynylamino]acetic acid
CID 79272517
2-[cyclopropyl-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]acetic acid
CID 60834359
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-[cyclopropyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetic acid
CID 60833392
2-(azetidin-3-yl)-N-(2-phenylpropyl)acetamide
CID 64611219
2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(2-phenylpropyl)acetamide
CID 18142870
2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
CID 62686641
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
CID 122043222
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 30635957

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid (CID 60833703) is 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid is CC(CNC(=O)CN(CC(=O)O)C1CC1)c1ccccc1.
What is the InChIKey of 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid?
The InChIKey is BFZNBQDVLMAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(13-5-3-2-4-6-13)9-17-15(19)10-18(11-16(20)21)14-7-8-14/h2-6,12,14H,7-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid?
2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 60833703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).