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

C6H13CeNO2 — CID 86698944

IUPAC(2S)-2-amino-4-methylpentanoic acid;cerium
SMILESCC(C)C[C@H](N)C(=O)O.[Ce]
InChIInChI=1S/C6H13NO2.Ce/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/t5-;/m0./s1
InChIKeyCWOJPXNNXNSACZ-JEDNCBNOSA-N
MW271.29 g/mol
LogP0.44
Rot. Bonds3

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

(2S)-2-amino-4-methylpentanoic acid;cerium (PubChem CID 86698944) has the molecular formula C6H13CeNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid;cerium.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoic acid;cerium
PubChem CID86698944
Molecular FormulaC6H13CeNO2
Molecular Weight271.29 g/mol
Exact Mass271.00
IUPAC Name(2S)-2-amino-4-methylpentanoic acid;cerium
SMILESCC(C)C[C@H](N)C(=O)O.[Ce]
InChIInChI=1S/C6H13NO2.Ce/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/t5-;/m0./s1
InChIKeyCWOJPXNNXNSACZ-JEDNCBNOSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
CID 6369563
CID 6369563
(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
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245
tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
CID 23551161

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoic acid;cerium?
The IUPAC name of (2S)-2-amino-4-methylpentanoic acid;cerium (CID 86698944) is (2S)-2-amino-4-methylpentanoic acid;cerium.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoic acid;cerium?
The canonical SMILES for (2S)-2-amino-4-methylpentanoic acid;cerium is CC(C)C[C@H](N)C(=O)O.[Ce].
What is the InChIKey of (2S)-2-amino-4-methylpentanoic acid;cerium?
The InChIKey is CWOJPXNNXNSACZ-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.Ce/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanoic acid;cerium?
(2S)-2-amino-4-methylpentanoic acid;cerium has a molecular weight of 271.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoic acid;cerium is sourced from PubChem (CID 86698944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).