[2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid

C6H12NO4P — CID 66681986

IUPAC[2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)NCC1CC1
InChIInChI=1S/C6H12NO4P/c8-6(4-12(9,10)11)7-3-5-1-2-5/h5H,1-4H2,(H,7,8)(H2,9,10,11)
InChIKeyALWOXQPLHZMDDA-UHFFFAOYSA-N
MW193.14 g/mol
LogP-0.31
Rot. Bonds4

About [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid

[2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid (PubChem CID 66681986) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid
PubChem CID66681986
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name[2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)NCC1CC1
InChIInChI=1S/C6H12NO4P/c8-6(4-12(9,10)11)7-3-5-1-2-5/h5H,1-4H2,(H,7,8)(H2,9,10,11)
InChIKeyALWOXQPLHZMDDA-UHFFFAOYSA-N
XLogP-0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-(methoxyamino)acetamide
CID 60721216
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
2-(cyclohexylamino)-N-(cyclopropylmethyl)acetamide
CID 28565073
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
2-(azetidin-3-yloxy)-N-(cyclopropylmethyl)acetamide
CID 63105334
N-[(4-chlorocyclohexyl)methyl]butanamide
CID 106133703

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid (CID 66681986) is [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid is O=C(CP(=O)(O)O)NCC1CC1.
What is the InChIKey of [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid?
The InChIKey is ALWOXQPLHZMDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c8-6(4-12(9,10)11)7-3-5-1-2-5/h5H,1-4H2,(H,7,8)(H2,9,10,11).
What are the key properties of [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid?
[2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid has a molecular weight of 193.14 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 66681986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).