2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid

C10H16FN3O4 — CID 169190037

IUPAC2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid
SMILESNC(CCCCNC(=O)N1CC(F)C1=O)C(=O)O
InChIInChI=1S/C10H16FN3O4/c11-6-5-14(8(6)15)10(18)13-4-2-1-3-7(12)9(16)17/h6-7H,1-5,12H2,(H,13,18)(H,16,17)
InChIKeyILTHYINKRVJTCZ-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.54
Rot. Bonds6

About 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid

2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid (PubChem CID 169190037) has the molecular formula C10H16FN3O4 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid
PubChem CID169190037
Molecular FormulaC10H16FN3O4
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid
SMILESNC(CCCCNC(=O)N1CC(F)C1=O)C(=O)O
InChIInChI=1S/C10H16FN3O4/c11-6-5-14(8(6)15)10(18)13-4-2-1-3-7(12)9(16)17/h6-7H,1-5,12H2,(H,13,18)(H,16,17)
InChIKeyILTHYINKRVJTCZ-UHFFFAOYSA-N
XLogP-0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.54
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-(cyclopropyloxycarbonylamino)hexanoic acid
CID 90090745
6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
CID 130218221
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
2-amino-6-(cyclopropylamino)hexanoic acid
CID 67330601
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid
CID 11641210
(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
CID 157029162

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid (CID 169190037) is 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid is NC(CCCCNC(=O)N1CC(F)C1=O)C(=O)O.
What is the InChIKey of 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is ILTHYINKRVJTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O4/c11-6-5-14(8(6)15)10(18)13-4-2-1-3-7(12)9(16)17/h6-7H,1-5,12H2,(H,13,18)(H,16,17).
What are the key properties of 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid?
2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 261.25 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3-fluoro-2-oxoazetidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 169190037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).