1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid

C12H19N3O4 — CID 79400729

IUPAC1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(CCNC(=O)N1CCC(C(=O)O)C1)NC1CC1
InChIInChI=1S/C12H19N3O4/c16-10(14-9-1-2-9)3-5-13-12(19)15-6-4-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,19)(H,14,16)(H,17,18)
InChIKeyLHQDNAOMMQLVFD-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds5

About 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79400729) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79400729
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(CCNC(=O)N1CCC(C(=O)O)C1)NC1CC1
InChIInChI=1S/C12H19N3O4/c16-10(14-9-1-2-9)3-5-13-12(19)15-6-4-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,19)(H,14,16)(H,17,18)
InChIKeyLHQDNAOMMQLVFD-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 81118415
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 79381622
N-[3-(cyclopropylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116656665
1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032084
1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid
CID 43568585
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63227780
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid
CID 79401803
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
1-(3-methylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63958995

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 79400729) is 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid is O=C(CCNC(=O)N1CCC(C(=O)O)C1)NC1CC1.
What is the InChIKey of 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LHQDNAOMMQLVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10(14-9-1-2-9)3-5-13-12(19)15-6-4-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,19)(H,14,16)(H,17,18).
What are the key properties of 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79400729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).