4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid

C15H30N2O4 — CID 107474565

IUPAC4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCC(C)OCCN(C)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O4/c1-11(2)21-8-7-17(6)14(20)16-10-12(13(18)19)9-15(3,4)5/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyXSBYOJZXTOCCCX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds8

About 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid

4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 107474565) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID107474565
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCC(C)OCCN(C)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O4/c1-11(2)21-8-7-17(6)14(20)16-10-12(13(18)19)9-15(3,4)5/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyXSBYOJZXTOCCCX-UHFFFAOYSA-N
XLogP2.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81057768
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474508
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]benzoic acid
CID 81038080
2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65222515
2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474068
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 81037703
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid (CID 107474565) is 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid is CC(C)OCCN(C)C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is XSBYOJZXTOCCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-11(2)21-8-7-17(6)14(20)16-10-12(13(18)19)9-15(3,4)5/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19).
What are the key properties of 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid?
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 107474565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).