(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid

C11H22N2O4 — CID 87110620

IUPAC(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
SMILESCCCCOC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-2-3-8-17-11(16)13-7-5-4-6-9(12)10(14)15/h9H,2-8,12H2,1H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyZPOZLECSUMBRQG-VIFPVBQESA-N
MW246.31 g/mol
LogP1.09
Rot. Bonds9

About (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid

(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid (PubChem CID 87110620) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
PubChem CID87110620
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
SMILESCCCCOC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-2-3-8-17-11(16)13-7-5-4-6-9(12)10(14)15/h9H,2-8,12H2,1H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyZPOZLECSUMBRQG-VIFPVBQESA-N
XLogP1.09
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-6-(butoxycarbonylamino)hexanoic 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

bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
CID 87631740
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
5-(butoxycarbonylamino)-2-methylpentanoic acid
CID 87521921
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
2-amino-6-(6-nitrooxyhexoxycarbonylamino)hexanoic acid
CID 59287757
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
(2S)-2-amino-6-[[(1R,2S,3R)-2-butyl-3-propylcyclopropyl]methoxycarbonylamino]hexanoic acid
CID 170291984
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid (CID 87110620) is (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid is CCCCOC(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid?
The InChIKey is ZPOZLECSUMBRQG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O4/c1-2-3-8-17-11(16)13-7-5-4-6-9(12)10(14)15/h9H,2-8,12H2,1H3,(H,13,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid?
(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 1.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 87110620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).