[3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid

C11H22N2O3 — CID 67085234

IUPAC[3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid
SMILESCC(C)(C)C(CNC1CCOC1)NC(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)9(13-10(14)15)6-12-8-4-5-16-7-8/h8-9,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyBLXFWDFLYOHOPM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.05
Rot. Bonds4

About [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid

[3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid (PubChem CID 67085234) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid
PubChem CID67085234
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name[3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid
SMILESCC(C)(C)C(CNC1CCOC1)NC(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)9(13-10(14)15)6-12-8-4-5-16-7-8/h8-9,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyBLXFWDFLYOHOPM-UHFFFAOYSA-N
XLogP1.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
CID 104929916
tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
CID 103748482
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088
2-methyl-2-(oxolan-3-ylamino)butanoic acid
CID 79789858
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
ethyl 3,3-dimethyl-2-(oxolan-3-ylcarbamoyl)butanoate
CID 116538202
4-methyl-2-[(oxan-3-ylamino)methyl]pentanoic acid
CID 122127774
3,3-difluoro-N-(oxolan-3-yl)butanamide
CID 130702956
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid?
The IUPAC name of [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid (CID 67085234) is [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid.
What is the SMILES notation for [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid?
The canonical SMILES for [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid is CC(C)(C)C(CNC1CCOC1)NC(=O)O.
What is the InChIKey of [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid?
The InChIKey is BLXFWDFLYOHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)9(13-10(14)15)6-12-8-4-5-16-7-8/h8-9,12-13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid?
[3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid has a molecular weight of 230.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid is sourced from PubChem (CID 67085234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).