1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid

C12H21N3O4 — CID 63031058

IUPAC1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCCNC(=O)CN(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-3-5-13-10(16)8-14(2)12(19)15-6-4-9(7-15)11(17)18/h9H,3-8H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQNYGCAQFALDYGF-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.03
Rot. Bonds5

About 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031058) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63031058
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCCNC(=O)CN(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-3-5-13-10(16)8-14(2)12(19)15-6-4-9(7-15)11(17)18/h9H,3-8H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQNYGCAQFALDYGF-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120354
1-[4-oxo-4-(propylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119355311
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 22322508
1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 81056899
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
N-methyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 134055105
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076
1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977
(2S)-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910417
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 63031058) is 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid is CCCNC(=O)CN(C)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QNYGCAQFALDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-5-13-10(16)8-14(2)12(19)15-6-4-9(7-15)11(17)18/h9H,3-8H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).