methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate

C9H17NO3 — CID 7024878

IUPACmethyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(7(11)13-5)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m0/s1
InChIKeyOTUZHOXNCVOSAC-LURJTMIESA-N
MW187.24 g/mol
LogP0.71
Rot. Bonds2

About methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate

methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 7024878) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
PubChem CID7024878
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(7(11)13-5)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m0/s1
InChIKeyOTUZHOXNCVOSAC-LURJTMIESA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61265011
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
2,2-dimethyl-N-[1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]propanamide
CID 82724608
methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate
CID 123166655
methyl (2R)-2-acetamidopropanoate
CID 6951031
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
(4,4-dimethyl-3-oxopentan-2-yl)urea
CID 58728668
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321
(1-methoxy-1-oxopropan-2-yl)carbamodithioic acid
CID 102077472

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate (CID 7024878) is methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate is COC(=O)[C@H](C)NC(=O)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is OTUZHOXNCVOSAC-LURJTMIESA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(7(11)13-5)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 7024878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).