2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

C15H22N2O3 — CID 61266533

IUPAC2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)N(Cc1ccccc1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)17(10-12-8-6-5-7-9-12)14(20)16-15(3,4)13(18)19/h5-9,11H,10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyMONQSSKSFBUETL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.47
Rot. Bonds5

About 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 61266533) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID61266533
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)N(Cc1ccccc1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)17(10-12-8-6-5-7-9-12)14(20)16-15(3,4)13(18)19/h5-9,11H,10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyMONQSSKSFBUETL-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea
CID 108910908
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
N-benzyl-N-propan-2-ylacetamide
CID 23534449
4-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 80537936
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
1-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylurea
CID 108907948

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 61266533) is 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is CC(C)N(Cc1ccccc1)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is MONQSSKSFBUETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)17(10-12-8-6-5-7-9-12)14(20)16-15(3,4)13(18)19/h5-9,11H,10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61266533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).