4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid

C17H24N2O3 — CID 122002966

IUPAC4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CCCC1Cc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(21)10-5-11-18-17(22)19-15-9-4-8-14(15)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21)(H2,18,19,22)
InChIKeyCOUVZAUVJQNMRP-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.56
Rot. Bonds7

About 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid

4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid (PubChem CID 122002966) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
PubChem CID122002966
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CCCC1Cc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(21)10-5-11-18-17(22)19-15-9-4-8-14(15)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21)(H2,18,19,22)
InChIKeyCOUVZAUVJQNMRP-UHFFFAOYSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
CID 61468058
N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
CID 99579151
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001
N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285
1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 155949510
4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid
CID 122016980
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
CID 119185869
4-[[1-(2-phenylacetyl)piperidin-3-yl]carbamoylamino]butanoic acid
CID 122013601
N-(2-benzylcyclopentyl)pyrrolidine-3-carboxamide
CID 119794025
4-(aminomethyl)-N-(2-benzylcyclopentyl)benzamide;hydrochloride
CID 119329447

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid (CID 122002966) is 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid is O=C(O)CCCNC(=O)NC1CCCC1Cc1ccccc1.
What is the InChIKey of 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid?
The InChIKey is COUVZAUVJQNMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(21)10-5-11-18-17(22)19-15-9-4-8-14(15)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid?
4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122002966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).