cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17N3O4 — CID 106320365

IUPACcis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H17N3O4/c15-12(18)8-2-1-3-10(6-8)16-14(21)17-11-5-4-9(7-11)13(19)20/h1-3,6,9,11H,4-5,7H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t9-,11+/m1/s1
InChIKeyCHZKJKPARQBGAI-KOLCDFICSA-N
MW291.31 g/mol
LogP1.16
Rot. Bonds4

About cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106320365) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106320365
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namecis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H17N3O4/c15-12(18)8-2-1-3-10(6-8)16-14(21)17-11-5-4-9(7-11)13(19)20/h1-3,6,9,11H,4-5,7H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t9-,11+/m1/s1
InChIKeyCHZKJKPARQBGAI-KOLCDFICSA-N
XLogP1.16
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031036
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
4-[(3-carbamoyl-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094809
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106320365) is cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is NC(=O)c1cccc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is CHZKJKPARQBGAI-KOLCDFICSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-12(18)8-2-1-3-10(6-8)16-14(21)17-11-5-4-9(7-11)13(19)20/h1-3,6,9,11H,4-5,7H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t9-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).