2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid

C15H19NO4 — CID 62099240

IUPAC2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
SMILESCOC(C(=O)NC(C)(C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(14(18)19,11-8-9-11)16-13(17)12(20-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUOHXCMWNKKMLAT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.74
Rot. Bonds6

About 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid

2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid (PubChem CID 62099240) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
PubChem CID62099240
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
SMILESCOC(C(=O)NC(C)(C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(14(18)19,11-8-9-11)16-13(17)12(20-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUOHXCMWNKKMLAT-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 43360421
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 3974139
(2S)-N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 958705
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
2-cyclopropyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 43341261
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide
CID 62521933
N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
CID 131950375
2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 119253867
2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 43360411

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid (CID 62099240) is 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid is COC(C(=O)NC(C)(C(=O)O)C1CC1)c1ccccc1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The InChIKey is UOHXCMWNKKMLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(14(18)19,11-8-9-11)16-13(17)12(20-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.74, 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-methoxy-2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 62099240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).