(2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid

C11H23N3O3 — CID 135218862

IUPAC(2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid
SMILESCNCCN(CCCC[C@H](N)C(=O)O)C(C)=O
InChIInChI=1S/C11H23N3O3/c1-9(15)14(8-6-13-2)7-4-3-5-10(12)11(16)17/h10,13H,3-8,12H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyRLZYQQYPZBRBOK-JTQLQIEISA-N
MW245.32 g/mol
LogP-0.36
Rot. Bonds9

About (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid

(2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid (PubChem CID 135218862) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid.

Molecular Properties

Compound Name(2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid
PubChem CID135218862
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name(2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid
SMILESCNCCN(CCCC[C@H](N)C(=O)O)C(C)=O
InChIInChI=1S/C11H23N3O3/c1-9(15)14(8-6-13-2)7-4-3-5-10(12)11(16)17/h10,13H,3-8,12H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyRLZYQQYPZBRBOK-JTQLQIEISA-N
XLogP-0.36
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(2S)-2-amino-6-(methylamino)hexanoic acid;isocyanic acid
CID 118377535
2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-6-(diethylamino)hexanoic acid
CID 53320301
actinium;(2S)-2-amino-6-[hydroxymethyl-[(E)-N-hydroxy-C-methylcarbonimidoyl]amino]hexanoic acid;dihydrochloride
CID 172971627
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
2-amino-21-methyldocosanoic acid
CID 10926747
N-[3-(methylamino)propyl]-N-propylacetamide
CID 130231961
2,6-diaminoheptanedioic acid
CID 865
2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid
CID 143252601

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid?
The IUPAC name of (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid (CID 135218862) is (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid.
What is the SMILES notation for (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid?
The canonical SMILES for (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid is CNCCN(CCCC[C@H](N)C(=O)O)C(C)=O.
What is the InChIKey of (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid?
The InChIKey is RLZYQQYPZBRBOK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O3/c1-9(15)14(8-6-13-2)7-4-3-5-10(12)11(16)17/h10,13H,3-8,12H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid?
(2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid has a molecular weight of 245.32 g/mol, XLogP of -0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid is sourced from PubChem (CID 135218862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).