2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid

C23H28N2O3 — CID 122100872

IUPAC2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C23H28N2O3/c1-17(23(27)28)25(20-12-13-20)16-22(26)24-15-14-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3,(H,24,26)(H,27,28)
InChIKeyHCMVBNKLQDBIGG-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.26
Rot. Bonds10

About 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid

2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 122100872) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID122100872
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C23H28N2O3/c1-17(23(27)28)25(20-12-13-20)16-22(26)24-15-14-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3,(H,24,26)(H,27,28)
InChIKeyHCMVBNKLQDBIGG-UHFFFAOYSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(3,3-diphenylpropyl)acetamide
CID 68887856
2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100801
2-[[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122100529
2-[[2-(2-bromoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083127
2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100687
2-[cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100783
2-[[2-(2-benzylanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122100876
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
2-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 122083115
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid (CID 122100872) is 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid is CC(C(=O)O)N(CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is HCMVBNKLQDBIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(23(27)28)25(20-12-13-20)16-22(26)24-15-14-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid?
2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 380.49 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 122100872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).