3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid

C15H24N2O4 — CID 61199602

IUPAC3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(CN(C)C(=O)N(CCC(=O)O)C(C)(C)C)o1
InChIInChI=1S/C15H24N2O4/c1-11-6-7-12(21-11)10-16(5)14(20)17(15(2,3)4)9-8-13(18)19/h6-7H,8-10H2,1-5H3,(H,18,19)
InChIKeyXNCUOURVZPIWTC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.72
Rot. Bonds5

About 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid

3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid (PubChem CID 61199602) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
PubChem CID61199602
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(CN(C)C(=O)N(CCC(=O)O)C(C)(C)C)o1
InChIInChI=1S/C15H24N2O4/c1-11-6-7-12(21-11)10-16(5)14(20)17(15(2,3)4)9-8-13(18)19/h6-7H,8-10H2,1-5H3,(H,18,19)
InChIKeyXNCUOURVZPIWTC-UHFFFAOYSA-N
XLogP2.72
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 61199412
3-[tert-butyl-[(5-methylfuran-2-yl)methyl]amino]propanoic acid
CID 60833994
2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 65263837
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]benzoic acid
CID 61198276
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019
tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid
CID 118692225
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
CID 115163900
(2S)-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 78967844

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid (CID 61199602) is 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid is Cc1ccc(CN(C)C(=O)N(CCC(=O)O)C(C)(C)C)o1.
What is the InChIKey of 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid?
The InChIKey is XNCUOURVZPIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-6-7-12(21-11)10-16(5)14(20)17(15(2,3)4)9-8-13(18)19/h6-7H,8-10H2,1-5H3,(H,18,19).
What are the key properties of 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid?
3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61199602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).