[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid

C10H21N2O4P — CID 15351769

IUPAC[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid
SMILESC[C@H](N)C(=O)NC(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C10H21N2O4P/c1-7(11)9(13)12-10(17(14,15)16)8-5-3-2-4-6-8/h7-8,10H,2-6,11H2,1H3,(H,12,13)(H2,14,15,16)/t7-,10?/m0/s1
InChIKeyGUWXIIXSHWSNHY-BYDSUWOYSA-N
MW264.26 g/mol
LogP0.53
Rot. Bonds4

About [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid

[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid (PubChem CID 15351769) has the molecular formula C10H21N2O4P and a molecular weight of 264.26 g/mol. Its IUPAC name is [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid.

Molecular Properties

Compound Name[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid
PubChem CID15351769
Molecular FormulaC10H21N2O4P
Molecular Weight264.26 g/mol
Exact Mass264.12
IUPAC Name[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid
SMILESC[C@H](N)C(=O)NC(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C10H21N2O4P/c1-7(11)9(13)12-10(17(14,15)16)8-5-3-2-4-6-8/h7-8,10H,2-6,11H2,1H3,(H,12,13)(H2,14,15,16)/t7-,10?/m0/s1
InChIKeyGUWXIIXSHWSNHY-BYDSUWOYSA-N
XLogP0.53
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid
CID 131888538
[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
CID 10037048
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54524014
1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid
CID 11820419
[1-(2-aminopropanoylamino)-2,2,2-trifluoroethyl]phosphonic acid
CID 85321325
3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide
CID 120501833

Frequently Asked Questions

What is the IUPAC name of [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid?
The IUPAC name of [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid (CID 15351769) is [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid.
What is the SMILES notation for [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid?
The canonical SMILES for [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid is C[C@H](N)C(=O)NC(C1CCCCC1)P(=O)(O)O.
What is the InChIKey of [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid?
The InChIKey is GUWXIIXSHWSNHY-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H21N2O4P/c1-7(11)9(13)12-10(17(14,15)16)8-5-3-2-4-6-8/h7-8,10H,2-6,11H2,1H3,(H,12,13)(H2,14,15,16)/t7-,10?/m0/s1.
What are the key properties of [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid?
[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid has a molecular weight of 264.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid is sourced from PubChem (CID 15351769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).