2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid

C16H20N2O5 — CID 76746304

IUPAC2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H20N2O5/c1-16(14(20)21)8-5-9-18(16)13(19)10-17-15(22)23-11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,22)(H,20,21)
InChIKeyYBKNTPKTWJAXOY-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.38
Rot. Bonds5

About 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 76746304) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID76746304
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H20N2O5/c1-16(14(20)21)8-5-9-18(16)13(19)10-17-15(22)23-11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,22)(H,20,21)
InChIKeyYBKNTPKTWJAXOY-UHFFFAOYSA-N
XLogP1.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 175253976
methyl (2S)-2-ethyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 67272370
(2S)-2,3-dimethyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 67004722
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
(2R)-1-ethyl-2-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 68851576
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
methyl 1-amino-2-methyl-2-[2-(phenylmethoxycarbonylamino)acetyl]cyclohexane-1-carboxylate
CID 154295124
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
benzyl (2S)-2-methyl-2-(2-oxoethylcarbamoyl)pyrrolidine-1-carboxylate
CID 59548489
benzyl N-[2-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 138750839
benzyl N-[[1-(2-chloroacetyl)-4-methylazepan-4-yl]methyl]carbamate
CID 156713828
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 76746304) is 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YBKNTPKTWJAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-16(14(20)21)8-5-9-18(16)13(19)10-17-15(22)23-11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 320.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 76746304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).