2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid

C15H19NO4 — CID 43360421

IUPAC2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(Oc1ccccc1)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO4/c1-10(20-12-6-4-3-5-7-12)13(17)16-15(2,14(18)19)11-8-9-11/h3-7,10-11H,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWYUSPTWYNANQOU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.82
Rot. Bonds6

About 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid

2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid (PubChem CID 43360421) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid
PubChem CID43360421
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(Oc1ccccc1)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO4/c1-10(20-12-6-4-3-5-7-12)13(17)16-15(2,14(18)19)11-8-9-11/h3-7,10-11H,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWYUSPTWYNANQOU-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 61262074
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
CID 95379382
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxypropanamide
CID 119608690
N-methyl-2-phenoxypropanamide
CID 4626974
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylpropanoic acid
CID 62487893
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid (CID 43360421) is 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid is CC(Oc1ccccc1)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid?
The InChIKey is WYUSPTWYNANQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(20-12-6-4-3-5-7-12)13(17)16-15(2,14(18)19)11-8-9-11/h3-7,10-11H,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid?
2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid is sourced from PubChem (CID 43360421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).