ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid

C9H21N2O6P — CID 142100445

IUPACethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid
SMILESCC.CC(C(=O)O)N(O)C(=O)CNCP(C)(=O)O
InChIInChI=1S/C7H15N2O6P.C2H6/c1-5(7(11)12)9(13)6(10)3-8-4-16(2,14)15;1-2/h5,8,13H,3-4H2,1-2H3,(H,11,12)(H,14,15);1-2H3
InChIKeyHECRQTPASQVHKG-UHFFFAOYSA-N
MW284.25 g/mol
LogP0.15
Rot. Bonds6

About ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid

ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid (PubChem CID 142100445) has the molecular formula C9H21N2O6P and a molecular weight of 284.25 g/mol. Its IUPAC name is ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Nameethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid
PubChem CID142100445
Molecular FormulaC9H21N2O6P
Molecular Weight284.25 g/mol
Exact Mass284.11
IUPAC Nameethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid
SMILESCC.CC(C(=O)O)N(O)C(=O)CNCP(C)(=O)O
InChIInChI=1S/C7H15N2O6P.C2H6/c1-5(7(11)12)9(13)6(10)3-8-4-16(2,14)15;1-2/h5,8,13H,3-4H2,1-2H3,(H,11,12)(H,14,15);1-2H3
InChIKeyHECRQTPASQVHKG-UHFFFAOYSA-N
XLogP0.15
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid
CID 142100287
2-[(2-dimethylphosphorylacetyl)amino]-N-hydroxy-N-propan-2-ylacetamide;ethane
CID 142100543
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid
CID 87495989
2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride
CID 174787599
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;2-(phosphonomethylamino)acetic acid
CID 173131478
[[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid
CID 59082791
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
sodium (carboxymethylamino)methyl-hydroxyphosphinate
CID 23677848
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
(2S)-2-[formyl(hydroxy)amino]propanoic acid
CID 6336523
CID 172849658
CID 172849658

Frequently Asked Questions

What is the IUPAC name of ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid?
The IUPAC name of ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid (CID 142100445) is ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid.
What is the SMILES notation for ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid?
The canonical SMILES for ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid is CC.CC(C(=O)O)N(O)C(=O)CNCP(C)(=O)O.
What is the InChIKey of ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid?
The InChIKey is HECRQTPASQVHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O6P.C2H6/c1-5(7(11)12)9(13)6(10)3-8-4-16(2,14)15;1-2/h5,8,13H,3-4H2,1-2H3,(H,11,12)(H,14,15);1-2H3.
What are the key properties of ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid?
ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid has a molecular weight of 284.25 g/mol, XLogP of 0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]methylamino]acetyl]amino]propanoic acid is sourced from PubChem (CID 142100445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).