methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate

C17H21N3O2 — CID 96567955

IUPACmethyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate
SMILESCOC(=O)[C@@](C)(NCc1nc(C)c2ccccc2n1)C1CC1
InChIInChI=1S/C17H21N3O2/c1-11-13-6-4-5-7-14(13)20-15(19-11)10-18-17(2,12-8-9-12)16(21)22-3/h4-7,12,18H,8-10H2,1-3H3/t17-/m0/s1
InChIKeyZMYRXCQWJYXQCW-KRWDZBQOSA-N
MW299.37 g/mol
LogP2.37
Rot. Bonds5

About methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate

methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate (PubChem CID 96567955) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate
PubChem CID96567955
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namemethyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate
SMILESCOC(=O)[C@@](C)(NCc1nc(C)c2ccccc2n1)C1CC1
InChIInChI=1S/C17H21N3O2/c1-11-13-6-4-5-7-14(13)20-15(19-11)10-18-17(2,12-8-9-12)16(21)22-3/h4-7,12,18H,8-10H2,1-3H3/t17-/m0/s1
InChIKeyZMYRXCQWJYXQCW-KRWDZBQOSA-N
XLogP2.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512788
methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71880326
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
4-methyl-2-propylquinazoline
CID 102028335
5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide
CID 166213939
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate
CID 32670302
5-[4-[(4-methylquinazolin-2-yl)methoxy]phenyl]pyrrolidin-2-one
CID 167767638
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate?
The IUPAC name of methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate (CID 96567955) is methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate?
The canonical SMILES for methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate is COC(=O)[C@@](C)(NCc1nc(C)c2ccccc2n1)C1CC1.
What is the InChIKey of methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate?
The InChIKey is ZMYRXCQWJYXQCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-13-6-4-5-7-14(13)20-15(19-11)10-18-17(2,12-8-9-12)16(21)22-3/h4-7,12,18H,8-10H2,1-3H3/t17-/m0/s1.
What are the key properties of methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate?
methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate has a molecular weight of 299.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-cyclopropyl-2-[(4-methylquinazolin-2-yl)methylamino]propanoate is sourced from PubChem (CID 96567955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).