3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid

C14H20N2O5 — CID 81063172

IUPAC3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CN(C)C(=O)c1ccco1)CC(=O)O
InChIInChI=1S/C14H20N2O5/c1-3-10(7-13(18)19)8-15-12(17)9-16(2)14(20)11-5-4-6-21-11/h4-6,10H,3,7-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBFIDOSBNQPKREN-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.97
Rot. Bonds8

About 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid

3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid (PubChem CID 81063172) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid
PubChem CID81063172
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CN(C)C(=O)c1ccco1)CC(=O)O
InChIInChI=1S/C14H20N2O5/c1-3-10(7-13(18)19)8-15-12(17)9-16(2)14(20)11-5-4-6-21-11/h4-6,10H,3,7-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBFIDOSBNQPKREN-UHFFFAOYSA-N
XLogP0.97
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93041382
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55583339
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide
CID 113236489
3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 61008405
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43062380
N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 167896219
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55543313

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid (CID 81063172) is 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid is CCC(CNC(=O)CN(C)C(=O)c1ccco1)CC(=O)O.
What is the InChIKey of 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid?
The InChIKey is BFIDOSBNQPKREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-10(7-13(18)19)8-15-12(17)9-16(2)14(20)11-5-4-6-21-11/h4-6,10H,3,7-9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid?
3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81063172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).