(2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride

C7H14ClNO5 — CID 174956955

IUPAC(2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride
SMILESCCOC(=O)N[C@@](C)(CO)C(=O)O.Cl
InChIInChI=1S/C7H13NO5.ClH/c1-3-13-6(12)8-7(2,4-9)5(10)11;/h9H,3-4H2,1-2H3,(H,8,12)(H,10,11);1H/t7-;/m0./s1
InChIKeyVXWKNJIOOJKSRY-FJXQXJEOSA-N
MW227.64 g/mol
LogP-0.01
Rot. Bonds4

About (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride

(2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride (PubChem CID 174956955) has the molecular formula C7H14ClNO5 and a molecular weight of 227.64 g/mol. Its IUPAC name is (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride
PubChem CID174956955
Molecular FormulaC7H14ClNO5
Molecular Weight227.64 g/mol
Exact Mass227.06
IUPAC Name(2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride
SMILESCCOC(=O)N[C@@](C)(CO)C(=O)O.Cl
InChIInChI=1S/C7H13NO5.ClH/c1-3-13-6(12)8-7(2,4-9)5(10)11;/h9H,3-4H2,1-2H3,(H,8,12)(H,10,11);1H/t7-;/m0./s1
InChIKeyVXWKNJIOOJKSRY-FJXQXJEOSA-N
XLogP-0.01
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride (CID 174956955) is (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride is CCOC(=O)N[C@@](C)(CO)C(=O)O.Cl.
What is the InChIKey of (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride?
The InChIKey is VXWKNJIOOJKSRY-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H13NO5.ClH/c1-3-13-6(12)8-7(2,4-9)5(10)11;/h9H,3-4H2,1-2H3,(H,8,12)(H,10,11);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride?
(2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride has a molecular weight of 227.64 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 174956955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).