N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide

C14H27N3O3 — CID 166145070

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide
SMILESCOC(C)(C)C1CN(C(=O)N(C)[C@H](C(N)=O)C(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-9(2)11(12(15)18)16(5)13(19)17-7-10(8-17)14(3,4)20-6/h9-11H,7-8H2,1-6H3,(H2,15,18)/t11-/m0/s1
InChIKeyKZONIQBSLIPCLQ-NSHDSACASA-N
MW285.39 g/mol
LogP0.90
Rot. Bonds5

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide (PubChem CID 166145070) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide
PubChem CID166145070
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide
SMILESCOC(C)(C)C1CN(C(=O)N(C)[C@H](C(N)=O)C(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-9(2)11(12(15)18)16(5)13(19)17-7-10(8-17)14(3,4)20-6/h9-11H,7-8H2,1-6H3,(H2,15,18)/t11-/m0/s1
InChIKeyKZONIQBSLIPCLQ-NSHDSACASA-N
XLogP0.90
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide with MolForge

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Related Compounds

(2R)-2-(dimethylamino)-3-methylbutanamide;hydrochloride
CID 89440606
N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide
CID 178173065
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938
methyl 2-[acetyl-[(2-methylpropan-2-yl)oxy]amino]-3-methylbutanoate
CID 166609724
3-amino-1-(3-tert-butylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 106113674
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,1-dimethyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115830
(2S,3R)-2-(dimethylamino)-3-methoxybutanamide
CID 89440516
tert-butyl N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-N-methylcarbamate
CID 87312675
1-N,1-N-dimethylazetidine-1,3-dicarboxamide
CID 130950203
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,5-diazaspiro[3.4]octane-5-carboxamide
CID 169183229
CID 21032092
CID 21032092
5-amino-6-methoxy-2,6-dimethylhept-4-en-3-one
CID 53406966

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide (CID 166145070) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide is COC(C)(C)C1CN(C(=O)N(C)[C@H](C(N)=O)C(C)C)C1.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide?
The InChIKey is KZONIQBSLIPCLQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H27N3O3/c1-9(2)11(12(15)18)16(5)13(19)17-7-10(8-17)14(3,4)20-6/h9-11H,7-8H2,1-6H3,(H2,15,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 166145070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).