2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid

C10H20NO6P — CID 3739649

IUPAC2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid
SMILESCC(C)C(N)(CCP(=O)(O)CCC(=O)O)C(=O)O
InChIInChI=1S/C10H20NO6P/c1-7(2)10(11,9(14)15)4-6-18(16,17)5-3-8(12)13/h7H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyRHIRZGFEBGVSJD-UHFFFAOYSA-N
MW281.25 g/mol
LogP0.56
Rot. Bonds8

About 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid

2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid (PubChem CID 3739649) has the molecular formula C10H20NO6P and a molecular weight of 281.25 g/mol. Its IUPAC name is 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid
PubChem CID3739649
Molecular FormulaC10H20NO6P
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Name2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid
SMILESCC(C)C(N)(CCP(=O)(O)CCC(=O)O)C(=O)O
InChIInChI=1S/C10H20NO6P/c1-7(2)10(11,9(14)15)4-6-18(16,17)5-3-8(12)13/h7H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyRHIRZGFEBGVSJD-UHFFFAOYSA-N
XLogP0.56
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
CID 125427224
(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958
3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
CID 88582451
CID 88582451
(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
CID 175133847
3-[(3-amino-4-oxobutyl)-hydroxyphosphoryl]propanoic acid
CID 89169077
3-[dodecyl(hydroxy)phosphoryl]propanoic acid
CID 19011094
3-[butan-2-yl(hydroxy)phosphoryl]propanoic acid
CID 46216498
2-phosphonopropanoic acid;3-phosphonopropanoic acid
CID 161192791
2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid
CID 88769968
3-phosphonopropanoic acid;zirconium
CID 88720720
2,3-dimethylbutan-2-amine;octanoic acid
CID 173175161

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid?
The IUPAC name of 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid (CID 3739649) is 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid?
The canonical SMILES for 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid is CC(C)C(N)(CCP(=O)(O)CCC(=O)O)C(=O)O.
What is the InChIKey of 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid?
The InChIKey is RHIRZGFEBGVSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO6P/c1-7(2)10(11,9(14)15)4-6-18(16,17)5-3-8(12)13/h7H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid?
2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid has a molecular weight of 281.25 g/mol, XLogP of 0.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid is sourced from PubChem (CID 3739649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).