propan-2-yl 2-[methyl(propanoyl)amino]acetate

C9H17NO3 — CID 59695660

IUPACpropan-2-yl 2-[methyl(propanoyl)amino]acetate
SMILESCCC(=O)N(C)CC(=O)OC(C)C
InChIInChI=1S/C9H17NO3/c1-5-8(11)10(4)6-9(12)13-7(2)3/h7H,5-6H2,1-4H3
InChIKeyHBHYILZBBMDTHE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.81
Rot. Bonds4

About propan-2-yl 2-[methyl(propanoyl)amino]acetate

propan-2-yl 2-[methyl(propanoyl)amino]acetate (PubChem CID 59695660) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is propan-2-yl 2-[methyl(propanoyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl(propanoyl)amino]acetate
PubChem CID59695660
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namepropan-2-yl 2-[methyl(propanoyl)amino]acetate
SMILESCCC(=O)N(C)CC(=O)OC(C)C
InChIInChI=1S/C9H17NO3/c1-5-8(11)10(4)6-9(12)13-7(2)3/h7H,5-6H2,1-4H3
InChIKeyHBHYILZBBMDTHE-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
propan-2-one;propan-2-yl propanoate
CID 161266557
propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate
CID 115319244
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
propan-2-yl 2-[2-ethoxyethyl(ethyl)amino]acetate
CID 63697938
propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate
CID 79483387
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
1-O-ethyl 4-O-propan-2-yl 2-propan-2-ylbutanedioate
CID 174674506
propan-2-yl 3-hydroxy-4-iodobutanoate
CID 54548727

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[methyl(propanoyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[methyl(propanoyl)amino]acetate (CID 59695660) is propan-2-yl 2-[methyl(propanoyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[methyl(propanoyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[methyl(propanoyl)amino]acetate is CCC(=O)N(C)CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[methyl(propanoyl)amino]acetate?
The InChIKey is HBHYILZBBMDTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-8(11)10(4)6-9(12)13-7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 2-[methyl(propanoyl)amino]acetate?
propan-2-yl 2-[methyl(propanoyl)amino]acetate has a molecular weight of 187.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[methyl(propanoyl)amino]acetate is sourced from PubChem (CID 59695660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).