(2R)-2-acetyl-2,6-diaminohexanoic acid

C8H16N2O3 — CID 22853479

IUPAC(2R)-2-acetyl-2,6-diaminohexanoic acid
SMILESCC(=O)[C@](N)(CCCCN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(11)8(10,7(12)13)4-2-3-5-9/h2-5,9-10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyBJTZATWAPRKXBV-MRVPVSSYSA-N
MW188.23 g/mol
LogP-0.51
Rot. Bonds6

About (2R)-2-acetyl-2,6-diaminohexanoic acid

(2R)-2-acetyl-2,6-diaminohexanoic acid (PubChem CID 22853479) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2R)-2-acetyl-2,6-diaminohexanoic acid.

Molecular Properties

Compound Name(2R)-2-acetyl-2,6-diaminohexanoic acid
PubChem CID22853479
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2R)-2-acetyl-2,6-diaminohexanoic acid
SMILESCC(=O)[C@](N)(CCCCN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(11)8(10,7(12)13)4-2-3-5-9/h2-5,9-10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyBJTZATWAPRKXBV-MRVPVSSYSA-N
XLogP-0.51
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,6-diamino-2-(2,2,2-trifluoroacetyl)hexanoic acid
CID 18393057
2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 19969154
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-2-(4-aminobutyl)-3-oxooctadecanoic acid
CID 22044528
2,8-diamino-2-methyloctanoic acid
CID 87814639
(2S)-2,6-diamino-2-(1-deuterio-2-methylpropan-2-yl)oxycarbonylhexanoic acid
CID 141461632
2,6-diamino-2-prop-2-ynoxycarbonylhexanoic acid
CID 177255023
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
2-amino-2-(3-aminopropyl)-3-oxotetradecanoic acid
CID 174507484
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
ditert-butyl 2-amino-2-(9-aminononyl)propanedioate
CID 91092434
acetic acid;azane;butane-1,4-diamine;methanamine
CID 173169975

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyl-2,6-diaminohexanoic acid?
The IUPAC name of (2R)-2-acetyl-2,6-diaminohexanoic acid (CID 22853479) is (2R)-2-acetyl-2,6-diaminohexanoic acid.
What is the SMILES notation for (2R)-2-acetyl-2,6-diaminohexanoic acid?
The canonical SMILES for (2R)-2-acetyl-2,6-diaminohexanoic acid is CC(=O)[C@](N)(CCCCN)C(=O)O.
What is the InChIKey of (2R)-2-acetyl-2,6-diaminohexanoic acid?
The InChIKey is BJTZATWAPRKXBV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)8(10,7(12)13)4-2-3-5-9/h2-5,9-10H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-acetyl-2,6-diaminohexanoic acid?
(2R)-2-acetyl-2,6-diaminohexanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyl-2,6-diaminohexanoic acid is sourced from PubChem (CID 22853479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).