cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H17N3O3 — CID 106324252

IUPACcis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1cccnc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H17N3O3/c17-12(18)10-3-4-11(6-10)16-13(19)15-8-9-2-1-5-14-7-9/h1-2,5,7,10-11H,3-4,6,8H2,(H,17,18)(H2,15,16,19)/t10-,11+/m1/s1
InChIKeyKIYDPRWWZSETPE-MNOVXSKESA-N
MW263.30 g/mol
LogP1.13
Rot. Bonds4

About cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106324252) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106324252
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namecis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1cccnc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H17N3O3/c17-12(18)10-3-4-11(6-10)16-13(19)15-8-9-2-1-5-14-7-9/h1-2,5,7,10-11H,3-4,6,8H2,(H,17,18)(H2,15,16,19)/t10-,11+/m1/s1
InChIKeyKIYDPRWWZSETPE-MNOVXSKESA-N
XLogP1.13
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320151
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 81178610
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea
CID 972429

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106324252) is cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCc1cccnc1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KIYDPRWWZSETPE-MNOVXSKESA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(18)10-3-4-11(6-10)16-13(19)15-8-9-2-1-5-14-7-9/h1-2,5,7,10-11H,3-4,6,8H2,(H,17,18)(H2,15,16,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106324252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).