2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid

C14H18N2O4 — CID 66564221

IUPAC2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H18N2O4/c17-13(18)8-15-12-6-7-16(9-12)14(19)20-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)/t12-/m1/s1
InChIKeyLMHUCJVMUNMMMV-GFCCVEGCSA-N
MW278.31 g/mol
LogP1.07
Rot. Bonds5

About 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid

2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid (PubChem CID 66564221) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
PubChem CID66564221
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H18N2O4/c17-13(18)8-15-12-6-7-16(9-12)14(19)20-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)/t12-/m1/s1
InChIKeyLMHUCJVMUNMMMV-GFCCVEGCSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
CID 175852571
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
CID 68753675
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyrrolidine-1-carboxylate
CID 118431252
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl 3-aminopyrrolidine-1-carboxylate;benzyl 3-(propan-2-ylamino)pyrrolidine-1-carboxylate;methane
CID 157491543

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid (CID 66564221) is 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid is O=C(O)CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid?
The InChIKey is LMHUCJVMUNMMMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(18)8-15-12-6-7-16(9-12)14(19)20-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)/t12-/m1/s1.
What are the key properties of 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid?
2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 66564221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).