(2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid

C17H21NO4 — CID 124695253

IUPAC(2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid
SMILESC[C@](COc1ccccc1)(NC(=O)[C@@H]1C[C@@H]1C1CC1)C(=O)O
InChIInChI=1S/C17H21NO4/c1-17(16(20)21,10-22-12-5-3-2-4-6-12)18-15(19)14-9-13(14)11-7-8-11/h2-6,11,13-14H,7-10H2,1H3,(H,18,19)(H,20,21)/t13-,14-,17-/m1/s1
InChIKeyVJUPKKREILZGHT-CKEIUWERSA-N
MW303.36 g/mol
LogP2.07
Rot. Bonds7

About (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid

(2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid (PubChem CID 124695253) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid
PubChem CID124695253
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid
SMILESC[C@](COc1ccccc1)(NC(=O)[C@@H]1C[C@@H]1C1CC1)C(=O)O
InChIInChI=1S/C17H21NO4/c1-17(16(20)21,10-22-12-5-3-2-4-6-12)18-15(19)14-9-13(14)11-7-8-11/h2-6,11,13-14H,7-10H2,1H3,(H,18,19)(H,20,21)/t13-,14-,17-/m1/s1
InChIKeyVJUPKKREILZGHT-CKEIUWERSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid with MolForge

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Related Compounds

2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid
CID 154750527
2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
CID 71915606
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
CID 99644607
2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid
CID 120977883
methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate
CID 95332256
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
(3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 125148612
2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119192173
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120531853
2-methyl-3-phenoxy-2-phenylpropanoic acid
CID 174875676
(2R)-2-[[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 124684368
3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 115493172

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid?
The IUPAC name of (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid (CID 124695253) is (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid.
What is the SMILES notation for (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid?
The canonical SMILES for (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid is C[C@](COc1ccccc1)(NC(=O)[C@@H]1C[C@@H]1C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid?
The InChIKey is VJUPKKREILZGHT-CKEIUWERSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(16(20)21,10-22-12-5-3-2-4-6-12)18-15(19)14-9-13(14)11-7-8-11/h2-6,11,13-14H,7-10H2,1H3,(H,18,19)(H,20,21)/t13-,14-,17-/m1/s1.
What are the key properties of (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid?
(2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid has a molecular weight of 303.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-2-methyl-3-phenoxypropanoic acid is sourced from PubChem (CID 124695253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).