2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid

C14H20N2O3S — CID 65223201

IUPAC2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(Cc1cccs1)C1CC1)C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-2-10(13(17)18)8-15-14(19)16(11-5-6-11)9-12-4-3-7-20-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyIESQRDBLAKQVLO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.53
Rot. Bonds7

About 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid

2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65223201) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65223201
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(Cc1cccs1)C1CC1)C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-2-10(13(17)18)8-15-14(19)16(11-5-6-11)9-12-4-3-7-20-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyIESQRDBLAKQVLO-UHFFFAOYSA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid with MolForge

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Related Compounds

3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109863
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62478659
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
1-cyclopropyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-2-ylmethyl)urea
CID 86999745
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
2-[[methyl(thiophen-2-ylmethyl)amino]methyl]butanoic acid
CID 115249975
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
2-[(1-thiophen-2-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65226264
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
CID 79491922
1-cyclopropyl-3-[[2-(propoxymethyl)phenyl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 87007968

Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid (CID 65223201) is 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid is CCC(CNC(=O)N(Cc1cccs1)C1CC1)C(=O)O.
What is the InChIKey of 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is IESQRDBLAKQVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-10(13(17)18)8-15-14(19)16(11-5-6-11)9-12-4-3-7-20-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65223201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).