3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid

C15H22N2O3 — CID 62878856

IUPAC3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid
SMILESCC(C)(C)CNC(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)10-17-14(20)16-9-12(13(18)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyVGJLHPKTXYKYPF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.20
Rot. Bonds5

About 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid

3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid (PubChem CID 62878856) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid
PubChem CID62878856
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid
SMILESCC(C)(C)CNC(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)10-17-14(20)16-9-12(13(18)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyVGJLHPKTXYKYPF-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)-3-(3-methyl-2-phenylbutyl)urea
CID 112840322
3-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-phenylpropanoic acid
CID 62878325
3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878150
3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
2-phenyl-3-(2,3,3-trimethylbutanoylamino)propanoic acid
CID 120688095
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878319
3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
CID 119255037
3-[(2-amino-2-methylbutanoyl)amino]-2-phenylpropanoic acid
CID 79810888
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoic acid
CID 65106380
3-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylpropanoic acid
CID 107152190

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid (CID 62878856) is 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid is CC(C)(C)CNC(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid?
The InChIKey is VGJLHPKTXYKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)10-17-14(20)16-9-12(13(18)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid?
3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62878856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).