3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid

C11H16N2O5 — CID 61423971

IUPAC3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1occc1CN(C)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-7-8(3-4-18-7)5-13(2)11(17)12-9(6-14)10(15)16/h3-4,9,14H,5-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeySNGGGPMUZQIUKP-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.17
Rot. Bonds5

About 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid

3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid (PubChem CID 61423971) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
PubChem CID61423971
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1occc1CN(C)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-7-8(3-4-18-7)5-13(2)11(17)12-9(6-14)10(15)16/h3-4,9,14H,5-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeySNGGGPMUZQIUKP-UHFFFAOYSA-N
XLogP0.17
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]butanoic acid
CID 61423925
(2S)-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61423829
(2S)-2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61420011
2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61414825
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61424514
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
(2S)-2-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61439670
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 61424320
3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 62729105
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid (CID 61423971) is 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid is Cc1occc1CN(C)C(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid?
The InChIKey is SNGGGPMUZQIUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7-8(3-4-18-7)5-13(2)11(17)12-9(6-14)10(15)16/h3-4,9,14H,5-6H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid?
3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61423971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).