1-carbamoylpyrrolidine-3-carboxylic acid

C6H10N2O3 — CID 19959123

IUPAC1-carbamoylpyrrolidine-3-carboxylic acid
SMILESNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C6H10N2O3/c7-6(11)8-2-1-4(3-8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10)
InChIKeyPAMBZQQKEKPSPM-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.53
Rot. Bonds1

About 1-carbamoylpyrrolidine-3-carboxylic acid

1-carbamoylpyrrolidine-3-carboxylic acid (PubChem CID 19959123) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-carbamoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-carbamoylpyrrolidine-3-carboxylic acid
PubChem CID19959123
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name1-carbamoylpyrrolidine-3-carboxylic acid
SMILESNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C6H10N2O3/c7-6(11)8-2-1-4(3-8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10)
InChIKeyPAMBZQQKEKPSPM-UHFFFAOYSA-N
XLogP-0.53
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
1-carbamohydrazonoylpyrrolidine-3-carboxylic acid
CID 85054032
1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
CID 103840976
1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid
CID 126782847
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032084
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
piperidine-1,4-dicarboxylic acid
CID 18542445
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
1-[2-(carbamoylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 55151360

Frequently Asked Questions

What is the IUPAC name of 1-carbamoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-carbamoylpyrrolidine-3-carboxylic acid (CID 19959123) is 1-carbamoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-carbamoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-carbamoylpyrrolidine-3-carboxylic acid is NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-carbamoylpyrrolidine-3-carboxylic acid?
The InChIKey is PAMBZQQKEKPSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-6(11)8-2-1-4(3-8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10).
What are the key properties of 1-carbamoylpyrrolidine-3-carboxylic acid?
1-carbamoylpyrrolidine-3-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 19959123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).