1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C9H14N2O5 — CID 43442143

IUPAC1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCOC(=O)NC(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C9H14N2O5/c1-16-9(15)10-7(12)5-11-4-2-3-6(11)8(13)14/h6H,2-5H2,1H3,(H,13,14)(H,10,12,15)
InChIKeyVLZFWXLONPNDRC-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.58
Rot. Bonds3

About 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442143) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID43442143
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCOC(=O)NC(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C9H14N2O5/c1-16-9(15)10-7(12)5-11-4-2-3-6(11)8(13)14/h6H,2-5H2,1H3,(H,13,14)(H,10,12,15)
InChIKeyVLZFWXLONPNDRC-UHFFFAOYSA-N
XLogP-0.58
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62011895
1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426797
methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027860
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369030
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
CID 66737893
CID 66737893
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
CID 63250167
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 43442143) is 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is COC(=O)NC(=O)CN1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VLZFWXLONPNDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-16-9(15)10-7(12)5-11-4-2-3-6(11)8(13)14/h6H,2-5H2,1H3,(H,13,14)(H,10,12,15).
What are the key properties of 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).