cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate

C10H19ClNO3P — CID 90251497

IUPACcyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate
SMILESC[C@H](NP(C)(=O)Cl)C(=O)OC1CCCCC1
InChIInChI=1S/C10H19ClNO3P/c1-8(12-16(2,11)14)10(13)15-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-,16?/m0/s1
InChIKeyUVLJPERFTMQSOS-UOCSPZAXSA-N
MW267.69 g/mol
LogP2.90
Rot. Bonds4

About cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate

cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate (PubChem CID 90251497) has the molecular formula C10H19ClNO3P and a molecular weight of 267.69 g/mol. Its IUPAC name is cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate
PubChem CID90251497
Molecular FormulaC10H19ClNO3P
Molecular Weight267.69 g/mol
Exact Mass267.08
IUPAC Namecyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate
SMILESC[C@H](NP(C)(=O)Cl)C(=O)OC1CCCCC1
InChIInChI=1S/C10H19ClNO3P/c1-8(12-16(2,11)14)10(13)15-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-,16?/m0/s1
InChIKeyUVLJPERFTMQSOS-UOCSPZAXSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
CID 123600330
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
cyclobutyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 72517256
cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 59853405
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 170067038
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cyclohexyl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 156835329
[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate
CID 134255610
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate?
The IUPAC name of cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate (CID 90251497) is cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate.
What is the SMILES notation for cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate?
The canonical SMILES for cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate is C[C@H](NP(C)(=O)Cl)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate?
The InChIKey is UVLJPERFTMQSOS-UOCSPZAXSA-N. The full InChI is InChI=1S/C10H19ClNO3P/c1-8(12-16(2,11)14)10(13)15-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-,16?/m0/s1.
What are the key properties of cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate?
cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate has a molecular weight of 267.69 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate is sourced from PubChem (CID 90251497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).