(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid

C6H14N2O2 — CID 57018880

IUPAC(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
SMILES[2H]C[C@](N)(CCCN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)/t6-/m0/s1/i1D
InChIKeyLNDPCYHWPSQBCA-LWZZHGBJSA-N
MW147.20 g/mol
LogP-0.47
Rot. Bonds5

About (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid

(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid (PubChem CID 57018880) has the molecular formula C6H14N2O2 and a molecular weight of 147.20 g/mol. Its IUPAC name is (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
PubChem CID57018880
Molecular FormulaC6H14N2O2
Molecular Weight147.20 g/mol
Exact Mass147.11
IUPAC Name(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
SMILES[2H]C[C@](N)(CCCN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)/t6-/m0/s1/i1D
InChIKeyLNDPCYHWPSQBCA-LWZZHGBJSA-N
XLogP-0.47
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diamino-2-methylhexanoic acid
CID 3017540
2,8-diamino-2-methyloctanoic acid
CID 87814639
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2,5-diamino-2-methylpentanamide
CID 130907221
(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride
CID 172557407
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
(2S)-2,6-diamino-2-(1-deuterio-2-methylpropan-2-yl)oxycarbonylhexanoic acid
CID 141461632
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
(2R)-2-acetyl-2,6-diaminohexanoic acid
CID 22853479
2,3,3-triamino-2-(3-aminopropyl)pentanoic acid
CID 141238758
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid?
The IUPAC name of (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid (CID 57018880) is (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid is [2H]C[C@](N)(CCCN)C(=O)O.
What is the InChIKey of (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid?
The InChIKey is LNDPCYHWPSQBCA-LWZZHGBJSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)/t6-/m0/s1/i1D.
What are the key properties of (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid?
(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid has a molecular weight of 147.20 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid is sourced from PubChem (CID 57018880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).