2-methyl-2-(pentylcarbamoylamino)propanoic acid

C10H20N2O3 — CID 18070358

IUPAC2-methyl-2-(pentylcarbamoylamino)propanoic acid
SMILESCCCCCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-6-7-11-9(15)12-10(2,3)8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyCMPKHYMKYZHIIF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds6

About 2-methyl-2-(pentylcarbamoylamino)propanoic acid

2-methyl-2-(pentylcarbamoylamino)propanoic acid (PubChem CID 18070358) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-2-(pentylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(pentylcarbamoylamino)propanoic acid
PubChem CID18070358
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-methyl-2-(pentylcarbamoylamino)propanoic acid
SMILESCCCCCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-6-7-11-9(15)12-10(2,3)8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyCMPKHYMKYZHIIF-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-hexylurea
CID 115571487
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-(decylcarbamoylamino)-2-methylbutanoic acid
CID 63481197
3-(hexylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265326
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 61481256
1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 71672034
2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61267137
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pentylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(pentylcarbamoylamino)propanoic acid (CID 18070358) is 2-methyl-2-(pentylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(pentylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(pentylcarbamoylamino)propanoic acid is CCCCCNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(pentylcarbamoylamino)propanoic acid?
The InChIKey is CMPKHYMKYZHIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-5-6-7-11-9(15)12-10(2,3)8(13)14/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methyl-2-(pentylcarbamoylamino)propanoic acid?
2-methyl-2-(pentylcarbamoylamino)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pentylcarbamoylamino)propanoic acid is sourced from PubChem (CID 18070358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).