5-amino-4-hydroxy-4-methylpentanoic acid

C6H13NO3 — CID 57305958

IUPAC5-amino-4-hydroxy-4-methylpentanoic acid
SMILESCC(O)(CN)CCC(=O)O
InChIInChI=1S/C6H13NO3/c1-6(10,4-7)3-2-5(8)9/h10H,2-4,7H2,1H3,(H,8,9)
InChIKeyCFVWXAAIEDPQCV-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.44
Rot. Bonds4

About 5-amino-4-hydroxy-4-methylpentanoic acid

5-amino-4-hydroxy-4-methylpentanoic acid (PubChem CID 57305958) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 5-amino-4-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-4-hydroxy-4-methylpentanoic acid
PubChem CID57305958
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name5-amino-4-hydroxy-4-methylpentanoic acid
SMILESCC(O)(CN)CCC(=O)O
InChIInChI=1S/C6H13NO3/c1-6(10,4-7)3-2-5(8)9/h10H,2-4,7H2,1H3,(H,8,9)
InChIKeyCFVWXAAIEDPQCV-UHFFFAOYSA-N
XLogP-0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-2-methylpentanoic acid
CID 19904999
Tert-butyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 146082510
Methyl 5-aminolevulinic acid
CID 54157540
5-Amino-4-hydroxy-2-methylvaleric acid
CID 73824229
5-Amino-4r-methylpentanoic acid
CID 88066643
5-Amino-4-methylpentanoic acid
CID 12040127
5-Amino-4-fluoro-4-methylpentanoic acid
CID 174972034
5-Amino-4,4-dihydroxypentanoic acid
CID 23255849
(4R)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid
CID 129450682
(4S)-4-(aminomethyl)-5,5,5-trifluoro-4-hydroxypentanoic acid
CID 129450683
(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
CID 129452449
(4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
CID 129452450

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-4-methylpentanoic acid?
The IUPAC name of 5-amino-4-hydroxy-4-methylpentanoic acid (CID 57305958) is 5-amino-4-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for 5-amino-4-hydroxy-4-methylpentanoic acid?
The canonical SMILES for 5-amino-4-hydroxy-4-methylpentanoic acid is CC(O)(CN)CCC(=O)O.
What is the InChIKey of 5-amino-4-hydroxy-4-methylpentanoic acid?
The InChIKey is CFVWXAAIEDPQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(10,4-7)3-2-5(8)9/h10H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 5-amino-4-hydroxy-4-methylpentanoic acid?
5-amino-4-hydroxy-4-methylpentanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 57305958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).