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

C12H16N2O5 — CID 55003505

IUPAC2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NC(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C12H16N2O5/c15-7-10(11(16)17)13-12(18)14(8-3-4-8)6-9-2-1-5-19-9/h1-2,5,8,10,15H,3-4,6-7H2,(H,13,18)(H,16,17)
InChIKeyYYEYAIGPQBAHRC-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.40
Rot. Bonds6

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

2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 55003505) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID55003505
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NC(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C12H16N2O5/c15-7-10(11(16)17)13-12(18)14(8-3-4-8)6-9-2-1-5-19-9/h1-2,5,8,10,15H,3-4,6-7H2,(H,13,18)(H,16,17)
InChIKeyYYEYAIGPQBAHRC-UHFFFAOYSA-N
XLogP0.40
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927859
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700693
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
(2R)-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909907

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 55003505) is 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid is O=C(O)C(CO)NC(=O)N(Cc1ccco1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is YYEYAIGPQBAHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-7-10(11(16)17)13-12(18)14(8-3-4-8)6-9-2-1-5-19-9/h1-2,5,8,10,15H,3-4,6-7H2,(H,13,18)(H,16,17).
What are the key properties of 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 55003505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).