2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid

C9H19NO3 — CID 106488991

IUPAC2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
SMILESCC(C)CC(CN)(CCO)C(=O)O
InChIInChI=1S/C9H19NO3/c1-7(2)5-9(6-10,3-4-11)8(12)13/h7,11H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyQZSHVTWZOGLUSQ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.44
Rot. Bonds6

About 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid

2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid (PubChem CID 106488991) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
PubChem CID106488991
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
SMILESCC(C)CC(CN)(CCO)C(=O)O
InChIInChI=1S/C9H19NO3/c1-7(2)5-9(6-10,3-4-11)8(12)13/h7,11H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyQZSHVTWZOGLUSQ-UHFFFAOYSA-N
XLogP0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
CID 106489017
2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid
CID 106489134
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966
2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
CID 106706834
2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid
CID 106489052
2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid
CID 106489036
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
4-methyl-2,2-bis(2-methylpropyl)pentanamide
CID 170848547
2-(aminomethyl)-4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanoic acid
CID 106489071
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
(3S)-3-amino-5-methylhexane-1,3-diol
CID 130357952

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid (CID 106488991) is 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid is CC(C)CC(CN)(CCO)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid?
The InChIKey is QZSHVTWZOGLUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(2)5-9(6-10,3-4-11)8(12)13/h7,11H,3-6,10H2,1-2H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid?
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid is sourced from PubChem (CID 106488991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).