3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid

C14H18N2O4S — CID 64671529

IUPAC3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H18N2O4S/c1-14(2,7-11(17)18)16-13(20)9-5-6-10(21-9)15-12(19)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyXGEXOZJQXULNBN-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.08
Rot. Bonds6

About 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid

3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 64671529) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
PubChem CID64671529
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H18N2O4S/c1-14(2,7-11(17)18)16-13(20)9-5-6-10(21-9)15-12(19)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyXGEXOZJQXULNBN-UHFFFAOYSA-N
XLogP2.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222
5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
CID 86848327
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878168
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
CID 115668905
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
N-[3-(tert-butylsulfonylmethyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86940766

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid (CID 64671529) is 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is XGEXOZJQXULNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-14(2,7-11(17)18)16-13(20)9-5-6-10(21-9)15-12(19)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid?
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 310.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64671529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).