CID 145193222

C6H13ClNO3P — CID 145193222

IUPAC—
SMILESCC(C)OC(=O)[C@H](C)N.O=PCl
InChIInChI=1S/C6H13NO2.ClOP/c1-4(2)9-6(8)5(3)7;1-3-2/h4-5H,7H2,1-3H3;/t5-;/m0./s1
InChIKeyYEPOKPAYUSVOHH-JEDNCBNOSA-N
MW213.60 g/mol
LogP1.72
Rot. Bonds2

About CID 145193222

CID 145193222 (PubChem CID 145193222) has the molecular formula C6H13ClNO3P and a molecular weight of 213.60 g/mol.

Molecular Properties

Compound NameCID 145193222
PubChem CID145193222
Molecular FormulaC6H13ClNO3P
Molecular Weight213.60 g/mol
Exact Mass213.03
IUPAC Name—
SMILESCC(C)OC(=O)[C@H](C)N.O=PCl
InChIInChI=1S/C6H13NO2.ClOP/c1-4(2)9-6(8)5(3)7;1-3-2/h4-5H,7H2,1-3H3;/t5-;/m0./s1
InChIKeyYEPOKPAYUSVOHH-JEDNCBNOSA-N
XLogP1.72
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.60
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl (2S)-2-aminopropanoate
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propan-2-yl 2-aminopropanoate
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hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
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1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride
CID 141398167
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
propan-2-yl 2-chloro-2-hydroxyacetate
CID 174315880
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
1-trimethylsilylethyl (2R)-2-aminopropanoate
CID 87632217

Frequently Asked Questions

What is the IUPAC name of CID 145193222?
The IUPAC name of CID 145193222 (CID 145193222) is not available.
What is the SMILES notation for CID 145193222?
The canonical SMILES for CID 145193222 is CC(C)OC(=O)[C@H](C)N.O=PCl.
What is the InChIKey of CID 145193222?
The InChIKey is YEPOKPAYUSVOHH-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.ClOP/c1-4(2)9-6(8)5(3)7;1-3-2/h4-5H,7H2,1-3H3;/t5-;/m0./s1.
What are the key properties of CID 145193222?
CID 145193222 has a molecular weight of 213.60 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145193222 is sourced from PubChem (CID 145193222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).