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

C8H17NO5 — CID 160585227

IUPAC(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
SMILESCC(C)C[C@H](N)C(=O)O.O=C(O)CO
InChIInChI=1S/C6H13NO2.C2H4O3/c1-4(2)3-5(7)6(8)9;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1H2,(H,4,5)/t5-;/m0./s1
InChIKeyRCHQWISWTNCPLE-JEDNCBNOSA-N
MW207.23 g/mol
LogP-0.49
Rot. Bonds4

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

(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid (PubChem CID 160585227) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
PubChem CID160585227
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
SMILESCC(C)C[C@H](N)C(=O)O.O=C(O)CO
InChIInChI=1S/C6H13NO2.C2H4O3/c1-4(2)3-5(7)6(8)9;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1H2,(H,4,5)/t5-;/m0./s1
InChIKeyRCHQWISWTNCPLE-JEDNCBNOSA-N
XLogP-0.49
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(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;cerium
CID 86698944
CID 6369563
CID 6369563
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
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
2-amino-4-methylpentanoic acid;butanoic acid
CID 175118720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid?
The IUPAC name of (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid (CID 160585227) is (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid is CC(C)C[C@H](N)C(=O)O.O=C(O)CO.
What is the InChIKey of (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid?
The InChIKey is RCHQWISWTNCPLE-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.C2H4O3/c1-4(2)3-5(7)6(8)9;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1H2,(H,4,5)/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid?
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid has a molecular weight of 207.23 g/mol, XLogP of -0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid is sourced from PubChem (CID 160585227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).