3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid

C16H24N2O3 — CID 65220763

IUPAC3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid
SMILESCCCc1ccccc1NC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-7-12-8-5-6-9-14(12)18-16(21)17-10-13(11(2)3)15(19)20/h5-6,8-9,11,13H,4,7,10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyRMXZPRCNLGGIDX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.12
Rot. Bonds7

About 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid

3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid (PubChem CID 65220763) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid
PubChem CID65220763
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid
SMILESCCCc1ccccc1NC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-7-12-8-5-6-9-14(12)18-16(21)17-10-13(11(2)3)15(19)20/h5-6,8-9,11,13H,4,7,10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyRMXZPRCNLGGIDX-UHFFFAOYSA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
CID 82014748
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
CID 111120539
1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583957
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
ethane;N-(2-propylphenyl)acetamide
CID 142804217
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219401
1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea
CID 72866555
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-[[(3-iodophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219781

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid (CID 65220763) is 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid is CCCc1ccccc1NC(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid?
The InChIKey is RMXZPRCNLGGIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-7-12-8-5-6-9-14(12)18-16(21)17-10-13(11(2)3)15(19)20/h5-6,8-9,11,13H,4,7,10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid?
3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 65220763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).