2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid

C11H23NO2 — CID 106489127

IUPAC2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCCC(C)C(CN)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-9(4)11(7-12,10(13)14)6-8(2)3/h8-9H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyMIMRUKLALKEXDO-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds6

About 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid

2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid (PubChem CID 106489127) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
PubChem CID106489127
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCCC(C)C(CN)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-9(4)11(7-12,10(13)14)6-8(2)3/h8-9H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyMIMRUKLALKEXDO-UHFFFAOYSA-N
XLogP2.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
CID 106488970
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
2-(aminomethyl)-2-propan-2-ylhexanoic acid
CID 106488461
2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
CID 106489017
2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid
CID 87921262
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid (CID 106489127) is 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid is CCC(C)C(CN)(CC(C)C)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid?
The InChIKey is MIMRUKLALKEXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-9(4)11(7-12,10(13)14)6-8(2)3/h8-9H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid?
2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 106489127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).