(propan-2-ylamino)phosphonous acid

C3H10NO2P — CID 22098155

IUPAC(propan-2-ylamino)phosphonous acid
SMILESCC(C)NP(O)O
InChIInChI=1S/C3H10NO2P/c1-3(2)4-7(5)6/h3-6H,1-2H3
InChIKeyMQIDNSBUYNRHPR-UHFFFAOYSA-N
MW123.09 g/mol
LogP0.20
Rot. Bonds2

About (propan-2-ylamino)phosphonous acid

(propan-2-ylamino)phosphonous acid (PubChem CID 22098155) has the molecular formula C3H10NO2P and a molecular weight of 123.09 g/mol. Its IUPAC name is (propan-2-ylamino)phosphonous acid.

Molecular Properties

Compound Name(propan-2-ylamino)phosphonous acid
PubChem CID22098155
Molecular FormulaC3H10NO2P
Molecular Weight123.09 g/mol
Exact Mass123.04
IUPAC Name(propan-2-ylamino)phosphonous acid
SMILESCC(C)NP(O)O
InChIInChI=1S/C3H10NO2P/c1-3(2)4-7(5)6/h3-6H,1-2H3
InChIKeyMQIDNSBUYNRHPR-UHFFFAOYSA-N
XLogP0.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.09
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Propan-2-ylamino)phosphonic acid
CID 12499972
alpha-Propylaminophosphonic acid
CID 13511152
Isopropylaminophosphine oxide
CID 24841584
Isopropylammonium dihydrogen phosphate
CID 129881579
alpha-Propylaminophosphinic acid
CID 146036789
3-Aminobutylphosphonous acid
CID 10374515
methyl-N-propan-2-ylphosphonamidic acid
CID 17994688
N-dihydroxyphosphinothioylbutan-2-amine
CID 18430306
Dihydroxy(oxo)phosphanium;propan-2-amine
CID 18539686
3-Aminobutan-2-ylphosphonous acid
CID 19090898
N-dihydroxyphosphinothioylethanamine
CID 20543050
N-dihydroxyphosphinothioylpropan-1-amine
CID 20562403

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylamino)phosphonous acid?
The IUPAC name of (propan-2-ylamino)phosphonous acid (CID 22098155) is (propan-2-ylamino)phosphonous acid.
What is the SMILES notation for (propan-2-ylamino)phosphonous acid?
The canonical SMILES for (propan-2-ylamino)phosphonous acid is CC(C)NP(O)O.
What is the InChIKey of (propan-2-ylamino)phosphonous acid?
The InChIKey is MQIDNSBUYNRHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO2P/c1-3(2)4-7(5)6/h3-6H,1-2H3.
What are the key properties of (propan-2-ylamino)phosphonous acid?
(propan-2-ylamino)phosphonous acid has a molecular weight of 123.09 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylamino)phosphonous acid is sourced from PubChem (CID 22098155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).