2-aminopropan-2-yl 2-amino-2-methylpropanoate

C7H16N2O2 — CID 163435102

IUPAC2-aminopropan-2-yl 2-amino-2-methylpropanoate
SMILESCC(C)(N)OC(=O)C(C)(C)N
InChIInChI=1S/C7H16N2O2/c1-6(2,8)5(10)11-7(3,4)9/h8-9H2,1-4H3
InChIKeyATUYODNMRNLSES-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.04
Rot. Bonds2

About 2-aminopropan-2-yl 2-amino-2-methylpropanoate

2-aminopropan-2-yl 2-amino-2-methylpropanoate (PubChem CID 163435102) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-aminopropan-2-yl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name2-aminopropan-2-yl 2-amino-2-methylpropanoate
PubChem CID163435102
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-aminopropan-2-yl 2-amino-2-methylpropanoate
SMILESCC(C)(N)OC(=O)C(C)(C)N
InChIInChI=1S/C7H16N2O2/c1-6(2,8)5(10)11-7(3,4)9/h8-9H2,1-4H3
InChIKeyATUYODNMRNLSES-UHFFFAOYSA-N
XLogP-0.04
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
CID 163587095
methyl 2-amino-2-methylpropaneperoxoate;hydrochloride
CID 175031263
ethyl 2-amino-2-methylpropanoate
CID 153428588
benzoic acid;tert-butyl 2-amino-2-methylpropanoate
CID 175229994
propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
3,3-dimethylbutyl 2-amino-2-methylpropanoate
CID 66227109
3-amino-3-methylbutan-2-one
CID 4913006
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
4-(2-aminopropan-2-yloxy)-4-oxobutanoic acid
CID 174828482
(2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate
CID 174389618
(1-amino-1-iodoethyl) 2,2-dimethylpropanoate
CID 163845508
1,1-diaminoethyl acetate
CID 87732493

Frequently Asked Questions

What is the IUPAC name of 2-aminopropan-2-yl 2-amino-2-methylpropanoate?
The IUPAC name of 2-aminopropan-2-yl 2-amino-2-methylpropanoate (CID 163435102) is 2-aminopropan-2-yl 2-amino-2-methylpropanoate.
What is the SMILES notation for 2-aminopropan-2-yl 2-amino-2-methylpropanoate?
The canonical SMILES for 2-aminopropan-2-yl 2-amino-2-methylpropanoate is CC(C)(N)OC(=O)C(C)(C)N.
What is the InChIKey of 2-aminopropan-2-yl 2-amino-2-methylpropanoate?
The InChIKey is ATUYODNMRNLSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2,8)5(10)11-7(3,4)9/h8-9H2,1-4H3.
What are the key properties of 2-aminopropan-2-yl 2-amino-2-methylpropanoate?
2-aminopropan-2-yl 2-amino-2-methylpropanoate has a molecular weight of 160.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropan-2-yl 2-amino-2-methylpropanoate is sourced from PubChem (CID 163435102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).