2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid

C10H13NO4 — CID 28778124

IUPAC2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCc1ccco1
InChIInChI=1S/C10H13NO4/c1-11(7-10(13)14)9(12)5-4-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyKKHRZSZZLMLAFS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.76
Rot. Bonds5

About 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid

2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid (PubChem CID 28778124) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
PubChem CID28778124
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCc1ccco1
InChIInChI=1S/C10H13NO4/c1-11(7-10(13)14)9(12)5-4-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyKKHRZSZZLMLAFS-UHFFFAOYSA-N
XLogP0.76
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[3-(furan-2-yl)propanoyl]amino]acetic acid
CID 79266775
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 134037132
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63930998
4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid
CID 104698066

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid (CID 28778124) is 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)CCc1ccco1.
What is the InChIKey of 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid?
The InChIKey is KKHRZSZZLMLAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-11(7-10(13)14)9(12)5-4-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid?
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid is sourced from PubChem (CID 28778124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).