4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid

C17H24N2O3 — CID 122028258

IUPAC4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC1(NC(=O)NC(CCC(=O)O)Cc2ccccc2)CCC1
InChIInChI=1S/C17H24N2O3/c1-17(10-5-11-17)19-16(22)18-14(8-9-15(20)21)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyOTMBEWRLMFVZLO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.70
Rot. Bonds7

About 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid

4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122028258) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122028258
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC1(NC(=O)NC(CCC(=O)O)Cc2ccccc2)CCC1
InChIInChI=1S/C17H24N2O3/c1-17(10-5-11-17)19-16(22)18-14(8-9-15(20)21)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyOTMBEWRLMFVZLO-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027410
4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122028162
4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122027910
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027955
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[(1-methylsulfonylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122012564
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid (CID 122028258) is 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid is CC1(NC(=O)NC(CCC(=O)O)Cc2ccccc2)CCC1.
What is the InChIKey of 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is OTMBEWRLMFVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(10-5-11-17)19-16(22)18-14(8-9-15(20)21)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).