methyl 3-(propan-2-ylamino)propanoate

C7H15NO2 — CID 12774812

IUPACmethyl 3-(propan-2-ylamino)propanoate
SMILESCOC(=O)CCNC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)8-5-4-7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKeyCDMLINZNKOVCCN-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds4

About methyl 3-(propan-2-ylamino)propanoate

methyl 3-(propan-2-ylamino)propanoate (PubChem CID 12774812) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 3-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(propan-2-ylamino)propanoate
PubChem CID12774812
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 3-(propan-2-ylamino)propanoate
SMILESCOC(=O)CCNC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)8-5-4-7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKeyCDMLINZNKOVCCN-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 3-(propan-2-ylamino)propanoate (CID 12774812) is methyl 3-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(propan-2-ylamino)propanoate is COC(=O)CCNC(C)C.
What is the InChIKey of methyl 3-(propan-2-ylamino)propanoate?
The InChIKey is CDMLINZNKOVCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)8-5-4-7(9)10-3/h6,8H,4-5H2,1-3H3.
What are the key properties of methyl 3-(propan-2-ylamino)propanoate?
methyl 3-(propan-2-ylamino)propanoate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(propan-2-ylamino)propanoate is sourced from PubChem (CID 12774812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).