methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate

C11H23NO3 — CID 79397397

IUPACmethyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate
SMILESCCC(C)(CO)NC(C)C(C)C(=O)OC
InChIInChI=1S/C11H23NO3/c1-6-11(4,7-13)12-9(3)8(2)10(14)15-5/h8-9,12-13H,6-7H2,1-5H3
InChIKeyBDJFVRQBIGJTPX-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.93
Rot. Bonds6

About methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate

methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate (PubChem CID 79397397) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate
PubChem CID79397397
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate
SMILESCCC(C)(CO)NC(C)C(C)C(=O)OC
InChIInChI=1S/C11H23NO3/c1-6-11(4,7-13)12-9(3)8(2)10(14)15-5/h8-9,12-13H,6-7H2,1-5H3
InChIKeyBDJFVRQBIGJTPX-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate
CID 64557205
N-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]propanamide
CID 64550594
2-methyl-2-(pentan-3-ylamino)butan-1-ol
CID 78996542
N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
CID 115920365
methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate
CID 62395625
methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoate
CID 87344948
2-(3-methylpentan-3-ylamino)propanoic acid
CID 103829131
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64549101
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
CID 106276355
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
methyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylbutanoate
CID 106147126
methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
CID 103261473

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate (CID 79397397) is methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate is CCC(C)(CO)NC(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate?
The InChIKey is BDJFVRQBIGJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-11(4,7-13)12-9(3)8(2)10(14)15-5/h8-9,12-13H,6-7H2,1-5H3.
What are the key properties of methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate?
methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate is sourced from PubChem (CID 79397397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).