(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid

C10H14N2O5 — CID 107825520

IUPAC(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
SMILESO=C(NCc1ccco1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H14N2O5/c13-4-3-8(9(14)15)12-10(16)11-6-7-2-1-5-17-7/h1-2,5,8,13H,3-4,6H2,(H,14,15)(H2,11,12,16)/t8-/m0/s1
InChIKeyXOGVWVUJLQYCPN-QMMMGPOBSA-N
MW242.23 g/mol
LogP-0.09
Rot. Bonds6

About (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid

(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid (PubChem CID 107825520) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
PubChem CID107825520
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
SMILESO=C(NCc1ccco1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H14N2O5/c13-4-3-8(9(14)15)12-10(16)11-6-7-2-1-5-17-7/h1-2,5,8,13H,3-4,6H2,(H,14,15)(H2,11,12,16)/t8-/m0/s1
InChIKeyXOGVWVUJLQYCPN-QMMMGPOBSA-N
XLogP-0.09
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
CID 61189328
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
2-[(4-fluorophenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 61229882
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid (CID 107825520) is (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid is O=C(NCc1ccco1)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid?
The InChIKey is XOGVWVUJLQYCPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-4-3-8(9(14)15)12-10(16)11-6-7-2-1-5-17-7/h1-2,5,8,13H,3-4,6H2,(H,14,15)(H2,11,12,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid?
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 107825520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).