2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene

C11H15NO2 — CID 68937366

IUPAC2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCCCC(N)C(=O)O.c1cc2cc-2c1
InChIInChI=1S/C6H4.C5H11NO2/c1-2-5-4-6(5)3-1;1-2-3-4(6)5(7)8/h1-4H;4H,2-3,6H2,1H3,(H,7,8)
InChIKeyLTGLPQADJWYTDY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.87
Rot. Bonds3

About 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene

2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 68937366) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID68937366
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCCCC(N)C(=O)O.c1cc2cc-2c1
InChIInChI=1S/C6H4.C5H11NO2/c1-2-5-4-6(5)3-1;1-2-3-4(6)5(7)8/h1-4H;4H,2-3,6H2,1H3,(H,7,8)
InChIKeyLTGLPQADJWYTDY-UHFFFAOYSA-N
XLogP1.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine
CID 70434290
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70461893
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
bicyclo[3.1.0]hexa-1(6),2,4-triene;3-hydroxy-2-methylpropanoic acid
CID 175519098
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
2-aminopentanoic acid;quinolin-6-amine
CID 174833592
2-aminopentanoic acid;pentanoic acid
CID 158644900
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
bicyclo[3.1.0]hexa-1(6),2,4-triene;3-iodo-2-methylpropanoic acid
CID 175395155
2-aminoacetic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 118514056

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene (CID 68937366) is 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene is CCCC(N)C(=O)O.c1cc2cc-2c1.
What is the InChIKey of 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is LTGLPQADJWYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C5H11NO2/c1-2-5-4-6(5)3-1;1-2-3-4(6)5(7)8/h1-4H;4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene?
2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 193.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 68937366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).