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

C15H20N2O4 — CID 66563946

IUPAC2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
SMILESCN(CC(=O)O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-16(10-14(18)19)13-7-8-17(9-13)15(20)21-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyNUEBRCLOUKOLGS-CYBMUJFWSA-N
MW292.33 g/mol
LogP1.41
Rot. Bonds5

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

2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid (PubChem CID 66563946) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
PubChem CID66563946
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
SMILESCN(CC(=O)O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-16(10-14(18)19)13-7-8-17(9-13)15(20)21-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyNUEBRCLOUKOLGS-CYBMUJFWSA-N
XLogP1.41
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate
CID 66563965
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
benzyl (3R)-3-[aminocarbamothioyl(methyl)amino]pyrrolidine-1-carboxylate
CID 58202128
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
benzyl (3R)-3-[[(2S)-2-aminopropanoyl]-propan-2-ylamino]pyrrolidine-1-carboxylate
CID 66564895
(3R)-3-[carboxymethyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylic acid
CID 140554013
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
benzyl (3S)-3-[2-hydroxyethyl(propan-2-yl)amino]pyrrolidine-1-carboxylate
CID 66564312

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid (CID 66563946) is 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid is CN(CC(=O)O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid?
The InChIKey is NUEBRCLOUKOLGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(10-14(18)19)13-7-8-17(9-13)15(20)21-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid?
2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 66563946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).