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

C9H15N3O4 — CID 63032084

IUPAC1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESNC(=O)CCNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C9H15N3O4/c10-7(13)1-3-11-9(16)12-4-2-6(5-12)8(14)15/h6H,1-5H2,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyUNLAXNXLOZJFLJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.02
Rot. Bonds4

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

1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032084) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032084
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESNC(=O)CCNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C9H15N3O4/c10-7(13)1-3-11-9(16)12-4-2-6(5-12)8(14)15/h6H,1-5H2,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyUNLAXNXLOZJFLJ-UHFFFAOYSA-N
XLogP-1.02
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79400729
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63227780
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
1-(3-methylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63958995
1-[2-(trifluoromethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011443
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63032084) is 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid is NC(=O)CCNC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UNLAXNXLOZJFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-7(13)1-3-11-9(16)12-4-2-6(5-12)8(14)15/h6H,1-5H2,(H2,10,13)(H,11,16)(H,14,15).
What are the key properties of 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).