2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid

C11H16N2O4 — CID 65217978

IUPAC2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-2-8(10(14)15)6-12-11(16)13-7-9-4-3-5-17-9/h3-5,8H,2,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRSVNTQIEBPIRST-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.19
Rot. Bonds6

About 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid

2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid (PubChem CID 65217978) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
PubChem CID65217978
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-2-8(10(14)15)6-12-11(16)13-7-9-4-3-5-17-9/h3-5,8H,2,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRSVNTQIEBPIRST-UHFFFAOYSA-N
XLogP1.19
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
CID 106109550
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 81177239
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690

Frequently Asked Questions

What is the IUPAC name of 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid (CID 65217978) is 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid is CCC(CNC(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid?
The InChIKey is RSVNTQIEBPIRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-8(10(14)15)6-12-11(16)13-7-9-4-3-5-17-9/h3-5,8H,2,6-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid?
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid is sourced from PubChem (CID 65217978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).