(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride

C10H20ClNO5 — CID 138683443

IUPAC(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
SMILESCO[C@H](CCNC(=O)OC(C)(C)C)C(=O)O.Cl
InChIInChI=1S/C10H19NO5.ClH/c1-10(2,3)16-9(14)11-6-5-7(15-4)8(12)13;/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13);1H/t7-;/m1./s1
InChIKeyZWXHZOBRZKQZQC-OGFXRTJISA-N
MW269.72 g/mol
LogP1.42
Rot. Bonds5

About (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride

(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride (PubChem CID 138683443) has the molecular formula C10H20ClNO5 and a molecular weight of 269.72 g/mol. Its IUPAC name is (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
PubChem CID138683443
Molecular FormulaC10H20ClNO5
Molecular Weight269.72 g/mol
Exact Mass269.10
IUPAC Name(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
SMILESCO[C@H](CCNC(=O)OC(C)(C)C)C(=O)O.Cl
InChIInChI=1S/C10H19NO5.ClH/c1-10(2,3)16-9(14)11-6-5-7(15-4)8(12)13;/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13);1H/t7-;/m1./s1
InChIKeyZWXHZOBRZKQZQC-OGFXRTJISA-N
XLogP1.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid
CID 156663033
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 174463288
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 131127978
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride?
The IUPAC name of (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride (CID 138683443) is (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride is CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)O.Cl.
What is the InChIKey of (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride?
The InChIKey is ZWXHZOBRZKQZQC-OGFXRTJISA-N. The full InChI is InChI=1S/C10H19NO5.ClH/c1-10(2,3)16-9(14)11-6-5-7(15-4)8(12)13;/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride?
(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride has a molecular weight of 269.72 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride is sourced from PubChem (CID 138683443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).