4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid

C24H41NO3 — CID 153363841

IUPAC4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
SMILESCCCCCC/C=C/C1CCC[C@@H]1C/C=C\CCCC(=O)NCCCC(=O)O
InChIInChI=1S/C24H41NO3/c1-2-3-4-5-6-9-14-21-16-12-17-22(21)15-10-7-8-11-18-23(26)25-20-13-19-24(27)28/h7,9-10,14,21-22H,2-6,8,11-13,15-20H2,1H3,(H,25,26)(H,27,28)/b10-7-,14-9+/t21?,22-/m0/s1
InChIKeyBVLZXLQBERFSGO-OCERCOQDSA-N
MW391.60 g/mol
LogP6.03
Rot. Bonds16

About 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid

4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid (PubChem CID 153363841) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
PubChem CID153363841
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Name4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
SMILESCCCCCC/C=C/C1CCC[C@@H]1C/C=C\CCCC(=O)NCCCC(=O)O
InChIInChI=1S/C24H41NO3/c1-2-3-4-5-6-9-14-21-16-12-17-22(21)15-10-7-8-11-18-23(26)25-20-13-19-24(27)28/h7,9-10,14,21-22H,2-6,8,11-13,15-20H2,1H3,(H,25,26)(H,27,28)/b10-7-,14-9+/t21?,22-/m0/s1
InChIKeyBVLZXLQBERFSGO-OCERCOQDSA-N
XLogP6.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 172859860
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744
5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 154418264
(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane
CID 142043708
(Z)-7-[(1R,2R,3S,4S)-3-[4-[[2-(hexanoylamino)acetyl]amino]butyl]-7-thiabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70408662
(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol
CID 70607428
N-cyclopropyl-N'-pentylpentadec-5-enediamide
CID 123554011

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid?
The IUPAC name of 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid (CID 153363841) is 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid?
The canonical SMILES for 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid is CCCCCC/C=C/C1CCC[C@@H]1C/C=C\CCCC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid?
The InChIKey is BVLZXLQBERFSGO-OCERCOQDSA-N. The full InChI is InChI=1S/C24H41NO3/c1-2-3-4-5-6-9-14-21-16-12-17-22(21)15-10-7-8-11-18-23(26)25-20-13-19-24(27)28/h7,9-10,14,21-22H,2-6,8,11-13,15-20H2,1H3,(H,25,26)(H,27,28)/b10-7-,14-9+/t21?,22-/m0/s1.
What are the key properties of 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid?
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid has a molecular weight of 391.60 g/mol, XLogP of 6.03, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid is sourced from PubChem (CID 153363841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).