(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid

C14H22N2O3S — CID 107566505

IUPAC(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)c1cc(C)sc1C)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-5-6-12(13(17)18)16-14(19)15-9(3)11-7-8(2)20-10(11)4/h7,9,12H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19)/t9?,12-/m1/s1
InChIKeyRBQDWUKKSVMWJZ-FFFFSGIJSA-N
MW298.41 g/mol
LogP2.98
Rot. Bonds6

About (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid

(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 107566505) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID107566505
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)c1cc(C)sc1C)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-5-6-12(13(17)18)16-14(19)15-9(3)11-7-8(2)20-10(11)4/h7,9,12H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19)/t9?,12-/m1/s1
InChIKeyRBQDWUKKSVMWJZ-FFFFSGIJSA-N
XLogP2.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107826865
(2R)-4-amino-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826866
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566688
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide
CID 86931458
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61470647
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 61498588
(2S)-2-[1-(4-methylphenyl)ethylcarbamoylamino]hexanoic acid
CID 107145758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid (CID 107566505) is (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC(C)c1cc(C)sc1C)C(=O)O.
What is the InChIKey of (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is RBQDWUKKSVMWJZ-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-6-12(13(17)18)16-14(19)15-9(3)11-7-8(2)20-10(11)4/h7,9,12H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19)/t9?,12-/m1/s1.
What are the key properties of (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid?
(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107566505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).