(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid

C10H14N2O5 — CID 107838816

IUPAC(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
SMILESCN(Cc1ccoc1)C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H14N2O5/c1-12(5-7-2-3-17-6-7)10(16)11-4-8(13)9(14)15/h2-3,6,8,13H,4-5H2,1H3,(H,11,16)(H,14,15)/t8-/m0/s1
InChIKeyQLQVLRHVHVRLKA-QMMMGPOBSA-N
MW242.23 g/mol
LogP-0.13
Rot. Bonds5

About (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid

(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 107838816) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
PubChem CID107838816
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
SMILESCN(Cc1ccoc1)C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H14N2O5/c1-12(5-7-2-3-17-6-7)10(16)11-4-8(13)9(14)15/h2-3,6,8,13H,4-5H2,1H3,(H,11,16)(H,14,15)/t8-/m0/s1
InChIKeyQLQVLRHVHVRLKA-QMMMGPOBSA-N
XLogP-0.13
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318
1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451347
4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61422524
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
(2S)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63304810
(2R)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909999
(2S)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61422523
3-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]benzoic acid
CID 61422425
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid (CID 107838816) is (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid is CN(Cc1ccoc1)C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is QLQVLRHVHVRLKA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-12(5-7-2-3-17-6-7)10(16)11-4-8(13)9(14)15/h2-3,6,8,13H,4-5H2,1H3,(H,11,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107838816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).