methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate

C9H19NO3 — CID 103774810

IUPACmethyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
SMILESCCC(C)(CCO)NCC(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-9(2,5-6-11)10-7-8(12)13-3/h10-11H,4-7H2,1-3H3
InChIKeyJAVPGCGHMNAQRW-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds6

About methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate

methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate (PubChem CID 103774810) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
PubChem CID103774810
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
SMILESCCC(C)(CCO)NCC(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-9(2,5-6-11)10-7-8(12)13-3/h10-11H,4-7H2,1-3H3
InChIKeyJAVPGCGHMNAQRW-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide
CID 114154108
3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid
CID 106175375
methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate
CID 106169758
3-(3-methoxypropylamino)-3-methylpentan-1-ol
CID 103950077
3-(2-methoxypropylamino)-3-methylpentan-1-ol
CID 106175766
methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 54443820
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 106178157
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
methyl 3,3-dimethylpentanoate
CID 3757207
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate (CID 103774810) is methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate is CCC(C)(CCO)NCC(=O)OC.
What is the InChIKey of methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate?
The InChIKey is JAVPGCGHMNAQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-9(2,5-6-11)10-7-8(12)13-3/h10-11H,4-7H2,1-3H3.
What are the key properties of methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate?
methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate has a molecular weight of 189.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate is sourced from PubChem (CID 103774810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).