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

C11H16N2O5 — CID 80756107

IUPAC(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(Cc1ccco1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-2-13(6-8-4-3-5-18-8)11(17)12-9(7-14)10(15)16/h3-5,9,14H,2,6-7H2,1H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyGLZCFPXBPHZGKT-SECBINFHSA-N
MW256.26 g/mol
LogP0.26
Rot. Bonds6

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

(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 80756107) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID80756107
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(Cc1ccco1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-2-13(6-8-4-3-5-18-8)11(17)12-9(7-14)10(15)16/h3-5,9,14H,2,6-7H2,1H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyGLZCFPXBPHZGKT-SECBINFHSA-N
XLogP0.26
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976380
2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61421365
(2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61420678
2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55003505
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 80756107) is (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid is CCN(Cc1ccco1)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is GLZCFPXBPHZGKT-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-2-13(6-8-4-3-5-18-8)11(17)12-9(7-14)10(15)16/h3-5,9,14H,2,6-7H2,1H3,(H,12,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80756107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).