cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid

C20H27N3O4 — CID 120676671

IUPACcis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccccc1)NC1(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCCC1
InChIInChI=1S/C20H27N3O4/c24-17(25)15-8-9-16(12-15)22-18(26)20(10-4-5-11-20)23-19(27)21-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,26)(H,24,25)(H2,21,23,27)/t15-,16+/m0/s1
InChIKeyJHDKJKOWSZESAP-JKSUJKDBSA-N
MW373.45 g/mol
LogP2.17
Rot. Bonds6

About cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676671) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676671
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Namecis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccccc1)NC1(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCCC1
InChIInChI=1S/C20H27N3O4/c24-17(25)15-8-9-16(12-15)22-18(26)20(10-4-5-11-20)23-19(27)21-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,26)(H,24,25)(H2,21,23,27)/t15-,16+/m0/s1
InChIKeyJHDKJKOWSZESAP-JKSUJKDBSA-N
XLogP2.17
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 55967731
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55536071
1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120557905
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 120944373
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 120676671) is cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid is O=C(NCc1ccccc1)NC1(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCCC1.
What is the InChIKey of cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JHDKJKOWSZESAP-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-17(25)15-8-9-16(12-15)22-18(26)20(10-4-5-11-20)23-19(27)21-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,26)(H,24,25)(H2,21,23,27)/t15-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 373.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).