2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid

C15H22N2O3 — CID 61187475

IUPAC2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-10-15(3,13(18)19)17-14(20)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyQTOWRLYZHOEHLA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.69
Rot. Bonds6

About 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid

2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid (PubChem CID 61187475) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
PubChem CID61187475
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-10-15(3,13(18)19)17-14(20)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyQTOWRLYZHOEHLA-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 62843561
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
CID 103997662
2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid
CID 65055783
1-[(1S)-1-phenylethyl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 163139296
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 62878367
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
2-[1-[4-(dimethylamino)phenyl]ethylamino]-2-methylpentanoic acid
CID 65055305
2-anilino-2-methylpentanoic acid
CID 60992039
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
CID 36515448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid (CID 61187475) is 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid is CCCC(C)(NC(=O)NC(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid?
The InChIKey is QTOWRLYZHOEHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-10-15(3,13(18)19)17-14(20)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid?
2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61187475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).