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

C8H17N3O3 — CID 20593376

IUPAC(2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid
SMILESCNC(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C8H17N3O3/c1-10-8(14)11-6(7(12)13)4-2-3-5-9/h6H,2-5,9H2,1H3,(H,12,13)(H2,10,11,14)/t6-/m0/s1
InChIKeyGUCDVAWYPKUUBB-LURJTMIESA-N
MW203.24 g/mol
LogP-0.50
Rot. Bonds6

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

(2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid (PubChem CID 20593376) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid
PubChem CID20593376
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name(2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid
SMILESCNC(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C8H17N3O3/c1-10-8(14)11-6(7(12)13)4-2-3-5-9/h6H,2-5,9H2,1H3,(H,12,13)(H2,10,11,14)/t6-/m0/s1
InChIKeyGUCDVAWYPKUUBB-LURJTMIESA-N
XLogP-0.50
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid (CID 20593376) is (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid is CNC(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid?
The InChIKey is GUCDVAWYPKUUBB-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O3/c1-10-8(14)11-6(7(12)13)4-2-3-5-9/h6H,2-5,9H2,1H3,(H,12,13)(H2,10,11,14)/t6-/m0/s1.
What are the key properties of (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid?
(2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 20593376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).