2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid

C12H18N2O4 — CID 21189455

IUPAC2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
SMILESNC(CCCCNC(=O)Cc1ccco1)C(=O)O
InChIInChI=1S/C12H18N2O4/c13-10(12(16)17)5-1-2-6-14-11(15)8-9-4-3-7-18-9/h3-4,7,10H,1-2,5-6,8,13H2,(H,14,15)(H,16,17)
InChIKeyVTCNZNHCDQNGCN-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.52
Rot. Bonds8

About 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid

2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid (PubChem CID 21189455) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
PubChem CID21189455
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
SMILESNC(CCCCNC(=O)Cc1ccco1)C(=O)O
InChIInChI=1S/C12H18N2O4/c13-10(12(16)17)5-1-2-6-14-11(15)8-9-4-3-7-18-9/h3-4,7,10H,1-2,5-6,8,13H2,(H,14,15)(H,16,17)
InChIKeyVTCNZNHCDQNGCN-UHFFFAOYSA-N
XLogP0.52
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.52
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-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 22886039
(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid
CID 14628128
(2S)-6-amino-2-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 57016969
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide
CID 110484706
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
CID 67328330
(2S)-2-amino-6-[(4-aminobenzoyl)amino]hexanoic acid
CID 70353770
(2S)-2,6-diaminohexanoic acid;furan-2-ol
CID 90119881
2-amino-6-[[2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]hexanoic acid
CID 123804497
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
CID 67015249

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid (CID 21189455) is 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid is NC(CCCCNC(=O)Cc1ccco1)C(=O)O.
What is the InChIKey of 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid?
The InChIKey is VTCNZNHCDQNGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c13-10(12(16)17)5-1-2-6-14-11(15)8-9-4-3-7-18-9/h3-4,7,10H,1-2,5-6,8,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid?
2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 21189455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).