(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol

C12H26NO3P — CID 10061302

IUPAC(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol
SMILESCCOP(=O)(CC1CCCCC1)C[C@@H](O)CN
InChIInChI=1S/C12H26NO3P/c1-2-16-17(15,10-12(14)8-13)9-11-6-4-3-5-7-11/h11-12,14H,2-10,13H2,1H3/t12-,17?/m0/s1
InChIKeyYNSMUXOBANLSIJ-WHUIICBVSA-N
MW263.32 g/mol
LogP2.20
Rot. Bonds7

About (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol

(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol (PubChem CID 10061302) has the molecular formula C12H26NO3P and a molecular weight of 263.32 g/mol. Its IUPAC name is (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol
PubChem CID10061302
Molecular FormulaC12H26NO3P
Molecular Weight263.32 g/mol
Exact Mass263.17
IUPAC Name(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol
SMILESCCOP(=O)(CC1CCCCC1)C[C@@H](O)CN
InChIInChI=1S/C12H26NO3P/c1-2-16-17(15,10-12(14)8-13)9-11-6-4-3-5-7-11/h11-12,14H,2-10,13H2,1H3/t12-,17?/m0/s1
InChIKeyYNSMUXOBANLSIJ-WHUIICBVSA-N
XLogP2.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[(2S)-3-amino-2-hydroxypropyl]-(cyclohexylmethyl)phosphoryl]oxymethyl ethyl carbonate
CID 68719402
1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride
CID 68622113
(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol
CID 59011201
ethyl (Z)-2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoate
CID 15735578
2-[[cyclohexylmethyl(ethoxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid
CID 67804026
tert-butyl N-[(2R)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]carbamate
CID 68622142
[1,1-diethoxyethyl(ethoxy)phosphoryl]methylcyclohexane
CID 129364277
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
[(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid
CID 10377028
2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
CID 69268124
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid
CID 159076279

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol?
The IUPAC name of (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol (CID 10061302) is (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol is CCOP(=O)(CC1CCCCC1)C[C@@H](O)CN.
What is the InChIKey of (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol?
The InChIKey is YNSMUXOBANLSIJ-WHUIICBVSA-N. The full InChI is InChI=1S/C12H26NO3P/c1-2-16-17(15,10-12(14)8-13)9-11-6-4-3-5-7-11/h11-12,14H,2-10,13H2,1H3/t12-,17?/m0/s1.
What are the key properties of (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol?
(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol has a molecular weight of 263.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol is sourced from PubChem (CID 10061302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).