2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene

C13H23NO2 — CID 137424283

IUPAC2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1C2.CC(C)CC(N)C(=O)O
InChIInChI=1S/C7H10.C6H13NO2/c1-2-7-4-3-6(1)5-7;1-4(2)3-5(7)6(8)9/h1-2,6-7H,3-5H2;4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeySSOBREQQDXNQPP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.42
Rot. Bonds3

About 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene

2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene (PubChem CID 137424283) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene
PubChem CID137424283
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1C2.CC(C)CC(N)C(=O)O
InChIInChI=1S/C7H10.C6H13NO2/c1-2-7-4-3-6(1)5-7;1-4(2)3-5(7)6(8)9/h1-2,6-7H,3-5H2;4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeySSOBREQQDXNQPP-UHFFFAOYSA-N
XLogP2.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene
CID 137424386
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene (CID 137424283) is 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene is C1=CC2CCC1C2.CC(C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene?
The InChIKey is SSOBREQQDXNQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C6H13NO2/c1-2-7-4-3-6(1)5-7;1-4(2)3-5(7)6(8)9/h1-2,6-7H,3-5H2;4-5H,3,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene?
2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene has a molecular weight of 225.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 137424283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).