(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride

C10H18ClNO5 — CID 167732107

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride
SMILESCC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cl
InChIInChI=1S/C10H17NO5.ClH/c1-6(12)5-7(8(13)14)11-9(15)16-10(2,3)4;/h7H,5H2,1-4H3,(H,11,15)(H,13,14);1H/t7-;/m0./s1
InChIKeyXZAQXTYOAKMCAY-FJXQXJEOSA-N
MW267.71 g/mol
LogP1.37
Rot. Bonds4

About (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride (PubChem CID 167732107) has the molecular formula C10H18ClNO5 and a molecular weight of 267.71 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride
PubChem CID167732107
Molecular FormulaC10H18ClNO5
Molecular Weight267.71 g/mol
Exact Mass267.09
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride
SMILESCC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cl
InChIInChI=1S/C10H17NO5.ClH/c1-6(12)5-7(8(13)14)11-9(15)16-10(2,3)4;/h7H,5H2,1-4H3,(H,11,15)(H,13,14);1H/t7-;/m0./s1
InChIKeyXZAQXTYOAKMCAY-FJXQXJEOSA-N
XLogP1.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 4712492
4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 4104742
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
(2S)-4-hydrazinyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 130706545
(2S)-4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 125449258
chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 165439278
(2S)-4-[[(2S)-2-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 171378142
5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
CID 107507015
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7020984
(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 7021114
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoic acid
CID 150578489
5-amino-4-oxopentanoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;phosphoric acid
CID 162266196

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride (CID 167732107) is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride is CC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cl.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride?
The InChIKey is XZAQXTYOAKMCAY-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H17NO5.ClH/c1-6(12)5-7(8(13)14)11-9(15)16-10(2,3)4;/h7H,5H2,1-4H3,(H,11,15)(H,13,14);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride?
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride has a molecular weight of 267.71 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride is sourced from PubChem (CID 167732107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).