propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate

C9H20N2O2 — CID 20551228

IUPACpropan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)CNCCN
InChIInChI=1S/C9H20N2O2/c1-7(2)13-9(12)8(3)6-11-5-4-10/h7-8,11H,4-6,10H2,1-3H3
InChIKeyWPCLZBZNYVVQHW-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds6

About propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate

propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate (PubChem CID 20551228) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate
PubChem CID20551228
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namepropan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)CNCCN
InChIInChI=1S/C9H20N2O2/c1-7(2)13-9(12)8(3)6-11-5-4-10/h7-8,11H,4-6,10H2,1-3H3
InChIKeyWPCLZBZNYVVQHW-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
propan-2-yl (2S)-3-amino-2-methylpropanoate
CID 94542950
decyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551178
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
methyl 3-[(5-amino-5-oxopentyl)amino]-2-methylpropanoate
CID 106237219
(2S)-1-(2-aminoethylamino)-2-hydroxy-4-methylpentan-3-one
CID 89424554
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
propan-2-yl 3-bromo-2-methylpropanoate
CID 12966121
methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
CID 93035176
tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate
CID 94133666
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate?
The IUPAC name of propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate (CID 20551228) is propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate?
The canonical SMILES for propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate is CC(C)OC(=O)C(C)CNCCN.
What is the InChIKey of propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate?
The InChIKey is WPCLZBZNYVVQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)13-9(12)8(3)6-11-5-4-10/h7-8,11H,4-6,10H2,1-3H3.
What are the key properties of propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate?
propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate has a molecular weight of 188.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate is sourced from PubChem (CID 20551228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).