[[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid

C5H13N2O4P — CID 163793506

IUPAC[[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid
SMILESCNP(=O)(O)NC[C@@]1(O)CC1O
InChIInChI=1S/C5H13N2O4P/c1-6-12(10,11)7-3-5(9)2-4(5)8/h4,8-9H,2-3H2,1H3,(H3,6,7,10,11)/t4?,5-/m0/s1
InChIKeyMYVIEOOXAASCBK-AKGZTFGVSA-N
MW196.14 g/mol
LogP-1.61
Rot. Bonds4

About [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid

[[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid (PubChem CID 163793506) has the molecular formula C5H13N2O4P and a molecular weight of 196.14 g/mol. Its IUPAC name is [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid.

Molecular Properties

Compound Name[[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid
PubChem CID163793506
Molecular FormulaC5H13N2O4P
Molecular Weight196.14 g/mol
Exact Mass196.06
IUPAC Name[[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid
SMILESCNP(=O)(O)NC[C@@]1(O)CC1O
InChIInChI=1S/C5H13N2O4P/c1-6-12(10,11)7-3-5(9)2-4(5)8/h4,8-9H,2-3H2,1H3,(H3,6,7,10,11)/t4?,5-/m0/s1
InChIKeyMYVIEOOXAASCBK-AKGZTFGVSA-N
XLogP-1.61
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid?
The IUPAC name of [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid (CID 163793506) is [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid.
What is the SMILES notation for [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid?
The canonical SMILES for [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid is CNP(=O)(O)NC[C@@]1(O)CC1O.
What is the InChIKey of [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid?
The InChIKey is MYVIEOOXAASCBK-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H13N2O4P/c1-6-12(10,11)7-3-5(9)2-4(5)8/h4,8-9H,2-3H2,1H3,(H3,6,7,10,11)/t4?,5-/m0/s1.
What are the key properties of [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid?
[[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid has a molecular weight of 196.14 g/mol, XLogP of -1.61, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1S)-1,2-dihydroxycyclopropyl]methylamino]-(methylamino)phosphinic acid is sourced from PubChem (CID 163793506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).