4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid

C10H20N2O4 — CID 79379882

IUPAC4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid
SMILESCN(CC(C)(C)O)C(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,16)7-12(3)9(15)11-6-4-5-8(13)14/h16H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyNMWICZKEYTZIAF-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.26
Rot. Bonds6

About 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid

4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid (PubChem CID 79379882) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid
PubChem CID79379882
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid
SMILESCN(CC(C)(C)O)C(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,16)7-12(3)9(15)11-6-4-5-8(13)14/h16H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyNMWICZKEYTZIAF-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 61197489
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82013804
4-[[2-hydroxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 62337963
2-[(4-amino-4-oxobutyl)carbamoyl-methylamino]acetic acid
CID 60862900
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386088
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
4-[[2,2-dimethylpropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 122022173
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid (CID 79379882) is 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid is CN(CC(C)(C)O)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid?
The InChIKey is NMWICZKEYTZIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,16)7-12(3)9(15)11-6-4-5-8(13)14/h16H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid?
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 79379882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).