methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate

C10H18N2O4 — CID 66249249

IUPACmethyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C10H18N2O4/c1-6(8(13)15-3)12-9(14)10(2)5-16-4-7(10)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)/t6-,7?,10?/m0/s1
InChIKeyLKCISKRPIHYAGQ-MLMMTNJESA-N
MW230.26 g/mol
LogP-0.97
Rot. Bonds3

About methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate

methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate (PubChem CID 66249249) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate
PubChem CID66249249
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C10H18N2O4/c1-6(8(13)15-3)12-9(14)10(2)5-16-4-7(10)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)/t6-,7?,10?/m0/s1
InChIKeyLKCISKRPIHYAGQ-MLMMTNJESA-N
XLogP-0.97
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66249428
4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66262770
4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide
CID 66250852
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
CID 79249257
(2S)-4-amino-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-4-oxobutanoic acid
CID 114005176
4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide
CID 66264615
4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyloxolane-3-carboxamide
CID 114151979
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66250458
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 107565154
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide
CID 79236389
4-amino-N-(1-cyclohexylpropyl)-3-methyloxolane-3-carboxamide
CID 66263325
4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide
CID 113405137

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate (CID 66249249) is methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)C1(C)COCC1N.
What is the InChIKey of methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate?
The InChIKey is LKCISKRPIHYAGQ-MLMMTNJESA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(8(13)15-3)12-9(14)10(2)5-16-4-7(10)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)/t6-,7?,10?/m0/s1.
What are the key properties of methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate?
methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate has a molecular weight of 230.26 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate is sourced from PubChem (CID 66249249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).