(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid

C14H22N2O4 — CID 78976380

IUPAC(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(Cc1ccco1)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-16(9-11-6-5-7-20-11)14(19)15-12(13(17)18)8-10(2)3/h5-7,10,12H,4,8-9H2,1-3H3,(H,15,19)(H,17,18)/t12-/m1/s1
InChIKeyYAAFHTZFGLQMCV-GFCCVEGCSA-N
MW282.34 g/mol
LogP2.31
Rot. Bonds7

About (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid

(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 78976380) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID78976380
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(Cc1ccco1)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-16(9-11-6-5-7-20-11)14(19)15-12(13(17)18)8-10(2)3/h5-7,10,12H,4,8-9H2,1-3H3,(H,15,19)(H,17,18)/t12-/m1/s1
InChIKeyYAAFHTZFGLQMCV-GFCCVEGCSA-N
XLogP2.31
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
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-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437379
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid (CID 78976380) is (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(Cc1ccco1)C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is YAAFHTZFGLQMCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-16(9-11-6-5-7-20-11)14(19)15-12(13(17)18)8-10(2)3/h5-7,10,12H,4,8-9H2,1-3H3,(H,15,19)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).