2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid

C16H24N2O3 — CID 79264465

IUPAC2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid
SMILESCc1cccc(CCNC(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12-6-5-7-13(10-12)8-9-17-15(21)18(11-14(19)20)16(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyHVTJEXTZTMNFMD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.43
Rot. Bonds5

About 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid

2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid (PubChem CID 79264465) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid
PubChem CID79264465
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid
SMILESCc1cccc(CCNC(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12-6-5-7-13(10-12)8-9-17-15(21)18(11-14(19)20)16(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyHVTJEXTZTMNFMD-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 79263728
3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108900811
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851250
2,3-dimethyl-4-[2-(3-methylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 76992295
1-cyano-N-[2-(3-methylphenyl)ethyl]formamide
CID 115172562
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 79815199
1-[2-(3-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62314860
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid (CID 79264465) is 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid is Cc1cccc(CCNC(=O)N(CC(=O)O)C(C)(C)C)c1.
What is the InChIKey of 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is HVTJEXTZTMNFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-6-5-7-13(10-12)8-9-17-15(21)18(11-14(19)20)16(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79264465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).