7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid

C14H20N2O5 — CID 43358988

IUPAC7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C14H20N2O5/c17-12(10-16-14(20)11-6-5-9-21-11)15-8-4-2-1-3-7-13(18)19/h5-6,9H,1-4,7-8,10H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyRBGMRSHZCCIBDA-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.16
Rot. Bonds10

About 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid

7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid (PubChem CID 43358988) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
PubChem CID43358988
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C14H20N2O5/c17-12(10-16-14(20)11-6-5-9-21-11)15-8-4-2-1-3-7-13(18)19/h5-6,9H,1-4,7-8,10H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyRBGMRSHZCCIBDA-UHFFFAOYSA-N
XLogP1.16
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.16
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

N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-(5-bromopentyl)furan-2-carboxamide
CID 107322078
N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
CID 33191879
4-[[2-(furan-2-carbonylamino)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003494
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-(3-formamidopropyl)furan-2-carboxamide
CID 110461151

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid (CID 43358988) is 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)CNC(=O)c1ccco1.
What is the InChIKey of 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid?
The InChIKey is RBGMRSHZCCIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c17-12(10-16-14(20)11-6-5-9-21-11)15-8-4-2-1-3-7-13(18)19/h5-6,9H,1-4,7-8,10H2,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid?
7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.16, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid is sourced from PubChem (CID 43358988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).