(2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide

C6H15N2O4P — CID 54500040

IUPAC(2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide
SMILESCOP(=O)(CNC(=O)[C@H](C)N)OC
InChIInChI=1S/C6H15N2O4P/c1-5(7)6(9)8-4-13(10,11-2)12-3/h5H,4,7H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyYBTTVLZKXAAODO-YFKPBYRVSA-N
MW210.17 g/mol
LogP-0.11
Rot. Bonds5

About (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide

(2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide (PubChem CID 54500040) has the molecular formula C6H15N2O4P and a molecular weight of 210.17 g/mol. Its IUPAC name is (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide
PubChem CID54500040
Molecular FormulaC6H15N2O4P
Molecular Weight210.17 g/mol
Exact Mass210.08
IUPAC Name(2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide
SMILESCOP(=O)(CNC(=O)[C@H](C)N)OC
InChIInChI=1S/C6H15N2O4P/c1-5(7)6(9)8-4-13(10,11-2)12-3/h5H,4,7H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyYBTTVLZKXAAODO-YFKPBYRVSA-N
XLogP-0.11
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
2-amino-4-dimethoxyphosphorylbutanoic acid
CID 14607816
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
2-amino-N-propylpropanamide;ethane
CID 142837247
(2S)-2-amino-N-(2-chloroethyl)propanamide
CID 55302965
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide (CID 54500040) is (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide is COP(=O)(CNC(=O)[C@H](C)N)OC.
What is the InChIKey of (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide?
The InChIKey is YBTTVLZKXAAODO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N2O4P/c1-5(7)6(9)8-4-13(10,11-2)12-3/h5H,4,7H2,1-3H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide?
(2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide has a molecular weight of 210.17 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide is sourced from PubChem (CID 54500040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).