(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid

C15H17NO3 — CID 119367879

IUPAC(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CC1C1CC1
InChIInChI=1S/C15H17NO3/c17-14(12-8-11(12)9-6-7-9)16-13(15(18)19)10-4-2-1-3-5-10/h1-5,9,11-13H,6-8H2,(H,16,17)(H,18,19)/t11?,12?,13-/m1/s1
InChIKeyGXFJEMCAAHTNPV-WXRRBKDZSA-N
MW259.30 g/mol
LogP1.97
Rot. Bonds5

About (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid

(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid (PubChem CID 119367879) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
PubChem CID119367879
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CC1C1CC1
InChIInChI=1S/C15H17NO3/c17-14(12-8-11(12)9-6-7-9)16-13(15(18)19)10-4-2-1-3-5-10/h1-5,9,11-13H,6-8H2,(H,16,17)(H,18,19)/t11?,12?,13-/m1/s1
InChIKeyGXFJEMCAAHTNPV-WXRRBKDZSA-N
XLogP1.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-phenylacetic acid
CID 104898576
2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
CID 64822644
6-[[carboxy(phenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 5082328
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
(2S)-2-phenyl-2-(thiane-2-carbonylamino)acetic acid
CID 104897044
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
CID 61157868
2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 86782495
(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
CID 104898564
(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid
CID 113265156

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid (CID 119367879) is (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)C1CC1C1CC1.
What is the InChIKey of (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid?
The InChIKey is GXFJEMCAAHTNPV-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(12-8-11(12)9-6-7-9)16-13(15(18)19)10-4-2-1-3-5-10/h1-5,9,11-13H,6-8H2,(H,16,17)(H,18,19)/t11?,12?,13-/m1/s1.
What are the key properties of (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid has a molecular weight of 259.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 119367879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).