(2S)-2-amino-4-methylpentanoic acid;propanoic acid

C9H19NO4 — CID 158078275

IUPAC(2S)-2-amino-4-methylpentanoic acid;propanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.CCC(=O)O
InChIInChI=1S/C6H13NO2.C3H6O2/c1-4(2)3-5(7)6(8)9;1-2-3(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2H2,1H3,(H,4,5)/t5-;/m0./s1
InChIKeyFMQDGWLUFVROET-JEDNCBNOSA-N
MW205.25 g/mol
LogP0.93
Rot. Bonds4

About (2S)-2-amino-4-methylpentanoic acid;propanoic acid

(2S)-2-amino-4-methylpentanoic acid;propanoic acid (PubChem CID 158078275) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid;propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoic acid;propanoic acid
PubChem CID158078275
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2S)-2-amino-4-methylpentanoic acid;propanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.CCC(=O)O
InChIInChI=1S/C6H13NO2.C3H6O2/c1-4(2)3-5(7)6(8)9;1-2-3(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2H2,1H3,(H,4,5)/t5-;/m0./s1
InChIKeyFMQDGWLUFVROET-JEDNCBNOSA-N
XLogP0.93
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
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
2-amino-4-methylpentanoic acid;butanoic acid
CID 175118720
tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
CID 23551161
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoic acid;propanoic acid?
The IUPAC name of (2S)-2-amino-4-methylpentanoic acid;propanoic acid (CID 158078275) is (2S)-2-amino-4-methylpentanoic acid;propanoic acid.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoic acid;propanoic acid?
The canonical SMILES for (2S)-2-amino-4-methylpentanoic acid;propanoic acid is CC(C)C[C@H](N)C(=O)O.CCC(=O)O.
What is the InChIKey of (2S)-2-amino-4-methylpentanoic acid;propanoic acid?
The InChIKey is FMQDGWLUFVROET-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.C3H6O2/c1-4(2)3-5(7)6(8)9;1-2-3(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2H2,1H3,(H,4,5)/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanoic acid;propanoic acid?
(2S)-2-amino-4-methylpentanoic acid;propanoic acid has a molecular weight of 205.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoic acid;propanoic acid is sourced from PubChem (CID 158078275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).