2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid

C15H28N2O4 — CID 107474508

IUPAC2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCN(CC1CC(O)C1)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-15(2,3)7-11(13(19)20)8-16-14(21)17(4)9-10-5-12(18)6-10/h10-12,18H,5-9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyXNLXWBSKDLCVRJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.54
Rot. Bonds6

About 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid

2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474508) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107474508
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCN(CC1CC(O)C1)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-15(2,3)7-11(13(19)20)8-16-14(21)17(4)9-10-5-12(18)6-10/h10-12,18H,5-9H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyXNLXWBSKDLCVRJ-UHFFFAOYSA-N
XLogP1.54
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223235
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
3-[2-(4-chlorophenyl)butyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 91662165
2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473872
2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpropanamide
CID 103430165
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473869
2-[2-[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373206

Frequently Asked Questions

What is the IUPAC name of 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid (CID 107474508) is 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid is CN(CC1CC(O)C1)C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is XNLXWBSKDLCVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,3)7-11(13(19)20)8-16-14(21)17(4)9-10-5-12(18)6-10/h10-12,18H,5-9H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).