amino 2-(propan-2-ylamino)acetate

C5H12N2O2 — CID 118670868

IUPACamino 2-(propan-2-ylamino)acetate
SMILESCC(C)NCC(=O)ON
InChIInChI=1S/C5H12N2O2/c1-4(2)7-3-5(8)9-6/h4,7H,3,6H2,1-2H3
InChIKeyPAZQZVJLHHTWMW-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.60
Rot. Bonds3

About amino 2-(propan-2-ylamino)acetate

amino 2-(propan-2-ylamino)acetate (PubChem CID 118670868) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is amino 2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Nameamino 2-(propan-2-ylamino)acetate
PubChem CID118670868
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameamino 2-(propan-2-ylamino)acetate
SMILESCC(C)NCC(=O)ON
InChIInChI=1S/C5H12N2O2/c1-4(2)7-3-5(8)9-6/h4,7H,3,6H2,1-2H3
InChIKeyPAZQZVJLHHTWMW-UHFFFAOYSA-N
XLogP-0.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate
CID 174576653
ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744
ethoxycarbonyl 2-(propan-2-ylamino)acetate
CID 174827011
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
3-methoxypropyl 2-(propan-2-ylamino)acetate
CID 61277386
cyclopentyl 2-(propan-2-ylamino)acetate
CID 45098593
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
CID 171804657
methyl 2-(1-aminopropan-2-ylamino)acetate
CID 88770790
ethane;1-(propan-2-ylamino)butan-2-one
CID 176992456
[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate
CID 158993180
ethyl 2-(1-chloroethylamino)acetate
CID 123739956

Frequently Asked Questions

What is the IUPAC name of amino 2-(propan-2-ylamino)acetate?
The IUPAC name of amino 2-(propan-2-ylamino)acetate (CID 118670868) is amino 2-(propan-2-ylamino)acetate.
What is the SMILES notation for amino 2-(propan-2-ylamino)acetate?
The canonical SMILES for amino 2-(propan-2-ylamino)acetate is CC(C)NCC(=O)ON.
What is the InChIKey of amino 2-(propan-2-ylamino)acetate?
The InChIKey is PAZQZVJLHHTWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(2)7-3-5(8)9-6/h4,7H,3,6H2,1-2H3.
What are the key properties of amino 2-(propan-2-ylamino)acetate?
amino 2-(propan-2-ylamino)acetate has a molecular weight of 132.16 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(propan-2-ylamino)acetate is sourced from PubChem (CID 118670868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).