2-acetamido-6-aminohexanoic acid;2-aminoacetic acid

C10H21N3O5 — CID 174935142

IUPAC2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
SMILESCC(=O)NC(CCCCN)C(=O)O.NCC(=O)O
InChIInChI=1S/C8H16N2O3.C2H5NO2/c1-6(11)10-7(8(12)13)4-2-3-5-9;3-1-2(4)5/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13);1,3H2,(H,4,5)
InChIKeySTWGYALNEBWQQL-UHFFFAOYSA-N
MW263.29 g/mol
LogP-1.27
Rot. Bonds7

About 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid

2-acetamido-6-aminohexanoic acid;2-aminoacetic acid (PubChem CID 174935142) has the molecular formula C10H21N3O5 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid.

Molecular Properties

Compound Name2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
PubChem CID174935142
Molecular FormulaC10H21N3O5
Molecular Weight263.29 g/mol
Exact Mass263.15
IUPAC Name2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
SMILESCC(=O)NC(CCCCN)C(=O)O.NCC(=O)O
InChIInChI=1S/C8H16N2O3.C2H5NO2/c1-6(11)10-7(8(12)13)4-2-3-5-9;3-1-2(4)5/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13);1,3H2,(H,4,5)
InChIKeySTWGYALNEBWQQL-UHFFFAOYSA-N
XLogP-1.27
TPSA155.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-6-amino-2-(3-oxobutanoylamino)hexanoic acid
CID 166492381
(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoic acid
CID 134687092
(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 159030403
6-amino-2-(2-oxopropanoylamino)hexanoic acid
CID 87246065
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoic acid
CID 102595279
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoic acid
CID 167110007
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoic acid
CID 102418288

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid?
The IUPAC name of 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid (CID 174935142) is 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid.
What is the SMILES notation for 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid?
The canonical SMILES for 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid is CC(=O)NC(CCCCN)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid?
The InChIKey is STWGYALNEBWQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.C2H5NO2/c1-6(11)10-7(8(12)13)4-2-3-5-9;3-1-2(4)5/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13);1,3H2,(H,4,5).
What are the key properties of 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid?
2-acetamido-6-aminohexanoic acid;2-aminoacetic acid has a molecular weight of 263.29 g/mol, XLogP of -1.27, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-aminohexanoic acid;2-aminoacetic acid is sourced from PubChem (CID 174935142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).