2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid

C16H19N3O6 — CID 102171907

IUPAC2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCC1(C(=O)NCC(=O)O)CCC(=O)N1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O6/c1-16(14(23)17-9-13(21)22)8-7-12(20)19(16)18-15(24)25-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,17,23)(H,18,24)(H,21,22)
InChIKeyNOONYTHZWJENKB-UHFFFAOYSA-N
MW349.34 g/mol
LogP0.41
Rot. Bonds6

About 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid

2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 102171907) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID102171907
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCC1(C(=O)NCC(=O)O)CCC(=O)N1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O6/c1-16(14(23)17-9-13(21)22)8-7-12(20)19(16)18-15(24)25-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,17,23)(H,18,24)(H,21,22)
InChIKeyNOONYTHZWJENKB-UHFFFAOYSA-N
XLogP0.41
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 76746304
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl 1-methyl-2-oxocyclohexane-1-carboxylate
CID 67285279
methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
CID 70468234
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
CID 145156063
benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
CID 110781684
2-[(2-oxo-2-phenylmethoxyacetyl)amino]acetic acid
CID 22928363
N-benzyl-2-methyl-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 46247148
benzyl N-piperidin-1-ylcarbamate
CID 3770567

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid (CID 102171907) is 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid is CC1(C(=O)NCC(=O)O)CCC(=O)N1NC(=O)OCc1ccccc1.
What is the InChIKey of 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is NOONYTHZWJENKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-16(14(23)17-9-13(21)22)8-7-12(20)19(16)18-15(24)25-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,17,23)(H,18,24)(H,21,22).
What are the key properties of 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 349.34 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 102171907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).