(1-amino-2-methylpropan-2-yl) 3-aminopropanoate

C7H16N2O2 — CID 142053345

IUPAC(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
SMILESCC(C)(CN)OC(=O)CCN
InChIInChI=1S/C7H16N2O2/c1-7(2,5-9)11-6(10)3-4-8/h3-5,8-9H2,1-2H3
InChIKeyWYDJWTHGXXQQPC-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.38
Rot. Bonds4

About (1-amino-2-methylpropan-2-yl) 3-aminopropanoate

(1-amino-2-methylpropan-2-yl) 3-aminopropanoate (PubChem CID 142053345) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) 3-aminopropanoate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
PubChem CID142053345
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
SMILESCC(C)(CN)OC(=O)CCN
InChIInChI=1S/C7H16N2O2/c1-7(2,5-9)11-6(10)3-4-8/h3-5,8-9H2,1-2H3
InChIKeyWYDJWTHGXXQQPC-UHFFFAOYSA-N
XLogP-0.38
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate
CID 175396016
(1-amino-2-methylpropan-2-yl) acetate
CID 20827160
(1-amino-2-methylpropan-2-yl) acetate;hydrochloride
CID 86587340
(4-amino-2-methylbutan-2-yl) hexanoate
CID 175123219
tert-butyl 3-[1-(1-amino-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxypropanoate
CID 178163461
(3-ethyl-4,5-dihydroxy-2,3-dimethylpentan-2-yl) 3-aminopropanoate
CID 163897476
(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate
CID 139681743
[2,5-dimethyl-5-(3-sulfanylpropanoyloxy)hexan-2-yl] 3-sulfanylpropanoate
CID 58616564
2,3,5-trimethylhexan-3-yl 4-aminobutanoate
CID 138631535
(4-cyclopropyl-2-methylbutan-2-yl) 6-aminohexanoate
CID 177225859
(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
CID 139681751
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) 3-aminopropanoate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) 3-aminopropanoate (CID 142053345) is (1-amino-2-methylpropan-2-yl) 3-aminopropanoate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) 3-aminopropanoate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) 3-aminopropanoate is CC(C)(CN)OC(=O)CCN.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) 3-aminopropanoate?
The InChIKey is WYDJWTHGXXQQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,5-9)11-6(10)3-4-8/h3-5,8-9H2,1-2H3.
What are the key properties of (1-amino-2-methylpropan-2-yl) 3-aminopropanoate?
(1-amino-2-methylpropan-2-yl) 3-aminopropanoate has a molecular weight of 160.22 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) 3-aminopropanoate is sourced from PubChem (CID 142053345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).