6-amino-2-(prop-2-enoylamino)hexanoic acid

C9H16N2O3 — CID 22717437

IUPAC6-amino-2-(prop-2-enoylamino)hexanoic acid
SMILESC=CC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-8(12)11-7(9(13)14)5-3-4-6-10/h2,7H,1,3-6,10H2,(H,11,12)(H,13,14)
InChIKeyGSRWBDHSNVWQLC-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.13
Rot. Bonds7

About 6-amino-2-(prop-2-enoylamino)hexanoic acid

6-amino-2-(prop-2-enoylamino)hexanoic acid (PubChem CID 22717437) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-amino-2-(prop-2-enoylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(prop-2-enoylamino)hexanoic acid
PubChem CID22717437
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name6-amino-2-(prop-2-enoylamino)hexanoic acid
SMILESC=CC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-8(12)11-7(9(13)14)5-3-4-6-10/h2,7H,1,3-6,10H2,(H,11,12)(H,13,14)
InChIKeyGSRWBDHSNVWQLC-UHFFFAOYSA-N
XLogP-0.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Acetyl-L-Lysine
CID 92907
Glycyl-L-lysine
CID 3080576
Ac-D-Lys-OH
CID 23390002
N2-Acetyl-DL-lysine
CID 192590
6-Acrylamidohexanoic Acid
CID 324200
N2-(4-Amino-1-oxobutyl)-L-lysine
CID 20849140
beta-alanyl-L-lysine
CID 440638
AC-Lys(AC)-OH
CID 7019608
GK dipeptide
CID 306144
N2-(2-Methylacryloyl)-L-lysine
CID 18634837
Acrylamidohexanoic acid
CID 22476910
(2S)-5-amino-5-oxo-2-(prop-2-enoylamino)pentanoic acid
CID 28170985

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(prop-2-enoylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(prop-2-enoylamino)hexanoic acid (CID 22717437) is 6-amino-2-(prop-2-enoylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(prop-2-enoylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(prop-2-enoylamino)hexanoic acid is C=CC(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(prop-2-enoylamino)hexanoic acid?
The InChIKey is GSRWBDHSNVWQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-8(12)11-7(9(13)14)5-3-4-6-10/h2,7H,1,3-6,10H2,(H,11,12)(H,13,14).
What are the key properties of 6-amino-2-(prop-2-enoylamino)hexanoic acid?
6-amino-2-(prop-2-enoylamino)hexanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(prop-2-enoylamino)hexanoic acid is sourced from PubChem (CID 22717437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).