methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate

C12H18N2O3 — CID 95303027

IUPACmethyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)N(Cc1cc(C)on1)C1CC1
InChIInChI=1S/C12H18N2O3/c1-8-6-10(13-17-8)7-14(11-4-5-11)9(2)12(15)16-3/h6,9,11H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyCFQZAEZWGKSMHD-SECBINFHSA-N
MW238.29 g/mol
LogP1.51
Rot. Bonds5

About methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate

methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate (PubChem CID 95303027) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
PubChem CID95303027
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)N(Cc1cc(C)on1)C1CC1
InChIInChI=1S/C12H18N2O3/c1-8-6-10(13-17-8)7-14(11-4-5-11)9(2)12(15)16-3/h6,9,11H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyCFQZAEZWGKSMHD-SECBINFHSA-N
XLogP1.51
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]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-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60840037
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
CID 119729325
2-(cyclopropylmethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86991307
(2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 36969125
methyl (2S)-2-(4,4-difluorocyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxycarbonylamino]acetate
CID 171790800
3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62828358
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64822535
N-cyclopropyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 43577020
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729303

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate (CID 95303027) is methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate is COC(=O)[C@@H](C)N(Cc1cc(C)on1)C1CC1.
What is the InChIKey of methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate?
The InChIKey is CFQZAEZWGKSMHD-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-6-10(13-17-8)7-14(11-4-5-11)9(2)12(15)16-3/h6,9,11H,4-5,7H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate?
methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate is sourced from PubChem (CID 95303027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).