2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid

C14H20N2O3 — CID 82501431

IUPAC2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid
SMILESCc1ccc(C(C)(C)C)cc1NC(=O)NCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-9-5-6-10(14(2,3)4)7-11(9)16-13(19)15-8-12(17)18/h5-7H,8H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyORYHAYCIOMRCJQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.50
Rot. Bonds3

About 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid

2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid (PubChem CID 82501431) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid
PubChem CID82501431
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid
SMILESCc1ccc(C(C)(C)C)cc1NC(=O)NCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-9-5-6-10(14(2,3)4)7-11(9)16-13(19)15-8-12(17)18/h5-7H,8H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyORYHAYCIOMRCJQ-UHFFFAOYSA-N
XLogP2.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide
CID 159844631
5-(5-tert-butyl-2-methylanilino)pentanoic acid
CID 115218859
4-methyl-3-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618004
N-(5-tert-butyl-2-methylphenyl)prop-2-enamide
CID 139406926
1-(2-chloroethyl)-3-(2,5-ditert-butylphenyl)urea
CID 10041094
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylbenzoic acid
CID 61198572
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566330
4-(5-tert-butyl-2-methylanilino)-3-methylbutanoic acid
CID 115219692
4-(5-tert-butyl-2-methylanilino)-3-hydroxybutanoic acid
CID 115122843

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid (CID 82501431) is 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid is Cc1ccc(C(C)(C)C)cc1NC(=O)NCC(=O)O.
What is the InChIKey of 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid?
The InChIKey is ORYHAYCIOMRCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-5-6-10(14(2,3)4)7-11(9)16-13(19)15-8-12(17)18/h5-7H,8H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid?
2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 82501431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).