(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid

C6H13NO2 — CID 10240856

IUPAC(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
SMILES[14CH3]C([14CH3])C[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+2,2+2
InChIKeyROHFNLRQFUQHCH-VJWJVTPXSA-N
MW135.16 g/mol
LogP0.44
Rot. Bonds3

About (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid

(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid (PubChem CID 10240856) has the molecular formula C6H13NO2 and a molecular weight of 135.16 g/mol. Its IUPAC name is (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
PubChem CID10240856
Molecular FormulaC6H13NO2
Molecular Weight135.16 g/mol
Exact Mass135.10
IUPAC Name(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
SMILES[14CH3]C([14CH3])C[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+2,2+2
InChIKeyROHFNLRQFUQHCH-VJWJVTPXSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-triaminoheptanedioic acid
CID 71362819
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride
CID 87593555
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
CID 131864134
CID 131864134
2-aminobutanedioic acid;selane
CID 174828111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid?
The IUPAC name of (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid (CID 10240856) is (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid?
The canonical SMILES for (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid is [14CH3]C([14CH3])C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid?
The InChIKey is ROHFNLRQFUQHCH-VJWJVTPXSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+2,2+2.
What are the key properties of (2S)-2-amino-4-(114C)methyl(514C)pentanoic acid?
(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid has a molecular weight of 135.16 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-(114C)methyl(514C)pentanoic acid is sourced from PubChem (CID 10240856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).