(1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C11H19N5O4 — CID 168980783

IUPAC(1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1nnnn1C
InChIInChI=1S/C11H19N5O4/c1-7(12-10(18)20-11(2,3)4)9(17)19-6-8-13-14-15-16(8)5/h7H,6H2,1-5H3,(H,12,18)/t7-/m0/s1
InChIKeyJYQBXKIKJIVQBZ-ZETCQYMHSA-N
MW285.30 g/mol
LogP0.17
Rot. Bonds4

About (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 168980783) has the molecular formula C11H19N5O4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID168980783
Molecular FormulaC11H19N5O4
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC Name(1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1nnnn1C
InChIInChI=1S/C11H19N5O4/c1-7(12-10(18)20-11(2,3)4)9(17)19-6-8-13-14-15-16(8)5/h7H,6H2,1-5H3,(H,12,18)/t7-/m0/s1
InChIKeyJYQBXKIKJIVQBZ-ZETCQYMHSA-N
XLogP0.17
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate with MolForge

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Related Compounds

2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91323049
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid
CID 14629047
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444
methane;[4-(4-methylphenyl)phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162046424
2-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]phenyl]acetic acid
CID 14629036
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
[(2S)-4,4-dimethylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146590290
(3,3,3-trifluoro-2,2-dimethylpropyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175315218
tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate
CID 101458585
tert-butyl N-[(2R)-4-bromo-3-oxobutan-2-yl]carbamate
CID 146049642

Frequently Asked Questions

What is the IUPAC name of (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 168980783) is (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1nnnn1C.
What is the InChIKey of (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is JYQBXKIKJIVQBZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19N5O4/c1-7(12-10(18)20-11(2,3)4)9(17)19-6-8-13-14-15-16(8)5/h7H,6H2,1-5H3,(H,12,18)/t7-/m0/s1.
What are the key properties of (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 285.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 168980783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).