methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate

C10H19NO3 — CID 103948463

IUPACmethyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(O)C1(C)C
InChIInChI=1S/C10H19NO3/c1-6(9(13)14-4)11-7-5-8(12)10(7,2)3/h6-8,11-12H,5H2,1-4H3/t6-,7?,8?/m0/s1
InChIKeyDQFGRMMGCXTMAV-KKMMWDRVSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds3

About methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate

methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate (PubChem CID 103948463) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
PubChem CID103948463
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(O)C1(C)C
InChIInChI=1S/C10H19NO3/c1-6(9(13)14-4)11-7-5-8(12)10(7,2)3/h6-8,11-12H,5H2,1-4H3/t6-,7?,8?/m0/s1
InChIKeyDQFGRMMGCXTMAV-KKMMWDRVSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633408
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide
CID 114629453
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 103107048
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
methyl (2S)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoate
CID 63021775
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanamide
CID 114629418
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide
CID 114629421
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
CID 114629226
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid
CID 103267221
3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol
CID 112634239
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate (CID 103948463) is methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate is COC(=O)[C@H](C)NC1CC(O)C1(C)C.
What is the InChIKey of methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate?
The InChIKey is DQFGRMMGCXTMAV-KKMMWDRVSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(9(13)14-4)11-7-5-8(12)10(7,2)3/h6-8,11-12H,5H2,1-4H3/t6-,7?,8?/m0/s1.
What are the key properties of methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate?
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate is sourced from PubChem (CID 103948463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).