(2S)-2,6-diamino-5-deuteriohexanoic acid

C6H14N2O2 — CID 175781409

IUPAC(2S)-2,6-diamino-5-deuteriohexanoic acid
SMILES[2H]C(CN)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1/i2D/t2?,5-
InChIKeyKDXKERNSBIXSRK-BAKHEUMUSA-N
MW147.20 g/mol
LogP-0.47
Rot. Bonds5

About (2S)-2,6-diamino-5-deuteriohexanoic acid

(2S)-2,6-diamino-5-deuteriohexanoic acid (PubChem CID 175781409) has the molecular formula C6H14N2O2 and a molecular weight of 147.20 g/mol. Its IUPAC name is (2S)-2,6-diamino-5-deuteriohexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-5-deuteriohexanoic acid
PubChem CID175781409
Molecular FormulaC6H14N2O2
Molecular Weight147.20 g/mol
Exact Mass147.11
IUPAC Name(2S)-2,6-diamino-5-deuteriohexanoic acid
SMILES[2H]C(CN)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1/i2D/t2?,5-
InChIKeyKDXKERNSBIXSRK-BAKHEUMUSA-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

zinc 2,5-diaminopentanoic acid
CID 56838280
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
2,6-diaminohexanoic acid;titanium
CID 174642581

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-5-deuteriohexanoic acid?
The IUPAC name of (2S)-2,6-diamino-5-deuteriohexanoic acid (CID 175781409) is (2S)-2,6-diamino-5-deuteriohexanoic acid.
What is the SMILES notation for (2S)-2,6-diamino-5-deuteriohexanoic acid?
The canonical SMILES for (2S)-2,6-diamino-5-deuteriohexanoic acid is [2H]C(CN)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diamino-5-deuteriohexanoic acid?
The InChIKey is KDXKERNSBIXSRK-BAKHEUMUSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1/i2D/t2?,5-.
What are the key properties of (2S)-2,6-diamino-5-deuteriohexanoic acid?
(2S)-2,6-diamino-5-deuteriohexanoic 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)-2,6-diamino-5-deuteriohexanoic acid is sourced from PubChem (CID 175781409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).