(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid

C12H18N2O3S — CID 107566204

IUPAC(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)Cc1ccsc1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-3-4-10(11(15)16)13-12(17)14(2)7-9-5-6-18-8-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyKHCWZRZXMIBZRB-SNVBAGLBSA-N
MW270.35 g/mol
LogP2.14
Rot. Bonds6

About (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid

(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid (PubChem CID 107566204) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
PubChem CID107566204
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)Cc1ccsc1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-3-4-10(11(15)16)13-12(17)14(2)7-9-5-6-18-8-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyKHCWZRZXMIBZRB-SNVBAGLBSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-hydroxy-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 107826201
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
(2R)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566203
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 54984478
(2S)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566202
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197550
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 61413250

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid (CID 107566204) is (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(C)Cc1ccsc1)C(=O)O.
What is the InChIKey of (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is KHCWZRZXMIBZRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-4-10(11(15)16)13-12(17)14(2)7-9-5-6-18-8-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107566204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).