2-(methylphosphanylamino)butanoic acid

C5H12NO2P — CID 21130494

IUPAC2-(methylphosphanylamino)butanoic acid
SMILESCCC(NPC)C(=O)O
InChIInChI=1S/C5H12NO2P/c1-3-4(5(7)8)6-9-2/h4,6,9H,3H2,1-2H3,(H,7,8)
InChIKeyPMVVMKACGHCCAK-UHFFFAOYSA-N
MW149.13 g/mol
LogP0.66
Rot. Bonds4

About 2-(methylphosphanylamino)butanoic acid

2-(methylphosphanylamino)butanoic acid (PubChem CID 21130494) has the molecular formula C5H12NO2P and a molecular weight of 149.13 g/mol. Its IUPAC name is 2-(methylphosphanylamino)butanoic acid.

Molecular Properties

Compound Name2-(methylphosphanylamino)butanoic acid
PubChem CID21130494
Molecular FormulaC5H12NO2P
Molecular Weight149.13 g/mol
Exact Mass149.06
IUPAC Name2-(methylphosphanylamino)butanoic acid
SMILESCCC(NPC)C(=O)O
InChIInChI=1S/C5H12NO2P/c1-3-4(5(7)8)6-9-2/h4,6,9H,3H2,1-2H3,(H,7,8)
InChIKeyPMVVMKACGHCCAK-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(iodoamino)butanoic acid
CID 23443212
ethane;2-(methylamino)butanoic acid
CID 91558033
(2R)-2-(chloroamino)butanoic acid
CID 101181560
2-acetamidobutanoic acid;ethane;methanol
CID 143023346
2-[(1-hydroxy-2-methylpropyl)amino]butanoic acid
CID 88507731
2-(1-hydroxyethylamino)butanoic acid
CID 141327020
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419
2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 64669958
2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 64667124
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695

Frequently Asked Questions

What is the IUPAC name of 2-(methylphosphanylamino)butanoic acid?
The IUPAC name of 2-(methylphosphanylamino)butanoic acid (CID 21130494) is 2-(methylphosphanylamino)butanoic acid.
What is the SMILES notation for 2-(methylphosphanylamino)butanoic acid?
The canonical SMILES for 2-(methylphosphanylamino)butanoic acid is CCC(NPC)C(=O)O.
What is the InChIKey of 2-(methylphosphanylamino)butanoic acid?
The InChIKey is PMVVMKACGHCCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2P/c1-3-4(5(7)8)6-9-2/h4,6,9H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-(methylphosphanylamino)butanoic acid?
2-(methylphosphanylamino)butanoic acid has a molecular weight of 149.13 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylphosphanylamino)butanoic acid is sourced from PubChem (CID 21130494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).