2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid

C14H20N2O4S — CID 62478659

IUPAC2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)N(Cc1cccs1)C1CC1)C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-20-7-6-12(13(17)18)15-14(19)16(10-4-5-10)9-11-3-2-8-21-11/h2-3,8,10,12H,4-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyIRTHZYHDQJEVPO-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.91
Rot. Bonds8

About 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid

2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 62478659) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid
PubChem CID62478659
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)N(Cc1cccs1)C1CC1)C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-20-7-6-12(13(17)18)15-14(19)16(10-4-5-10)9-11-3-2-8-21-11/h2-3,8,10,12H,4-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyIRTHZYHDQJEVPO-UHFFFAOYSA-N
XLogP1.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084411
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109863
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272195
(2R)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566203
(2S)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566202
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
(2S)-2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 61437777
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid (CID 62478659) is 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)N(Cc1cccs1)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is IRTHZYHDQJEVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-7-6-12(13(17)18)15-14(19)16(10-4-5-10)9-11-3-2-8-21-11/h2-3,8,10,12H,4-7,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid?
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 312.39 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).