4-(cyclopentylamino)-2-methylbut-2-enoic acid

C10H17NO2 — CID 103231060

IUPAC4-(cyclopentylamino)-2-methylbut-2-enoic acid
SMILESCC(=CCNC1CCCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(10(12)13)6-7-11-9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H,12,13)
InChIKeySUBXERKVWSLQAS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds4

About 4-(cyclopentylamino)-2-methylbut-2-enoic acid

4-(cyclopentylamino)-2-methylbut-2-enoic acid (PubChem CID 103231060) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-methylbut-2-enoic acid
PubChem CID103231060
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(cyclopentylamino)-2-methylbut-2-enoic acid
SMILESCC(=CCNC1CCCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(10(12)13)6-7-11-9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H,12,13)
InChIKeySUBXERKVWSLQAS-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-methylbut-2-enoic acid?
The IUPAC name of 4-(cyclopentylamino)-2-methylbut-2-enoic acid (CID 103231060) is 4-(cyclopentylamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for 4-(cyclopentylamino)-2-methylbut-2-enoic acid?
The canonical SMILES for 4-(cyclopentylamino)-2-methylbut-2-enoic acid is CC(=CCNC1CCCC1)C(=O)O.
What is the InChIKey of 4-(cyclopentylamino)-2-methylbut-2-enoic acid?
The InChIKey is SUBXERKVWSLQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(10(12)13)6-7-11-9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 4-(cyclopentylamino)-2-methylbut-2-enoic acid?
4-(cyclopentylamino)-2-methylbut-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 103231060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).