(2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid

C7H14N2O4 — CID 101080923

IUPAC(2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid
SMILESCC(C)[C@](O)(NC(=O)CN)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(2)7(13,6(11)12)9-5(10)3-8/h4,13H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyFJJFRLARBNCSIY-SSDOTTSWSA-N
MW190.20 g/mol
LogP-1.51
Rot. Bonds4

About (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid

(2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid (PubChem CID 101080923) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid
PubChem CID101080923
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid
SMILESCC(C)[C@](O)(NC(=O)CN)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(2)7(13,6(11)12)9-5(10)3-8/h4,13H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyFJJFRLARBNCSIY-SSDOTTSWSA-N
XLogP-1.51
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57066489
2-[(2-aminoacetyl)amino]-2-hydroxy-2-hydroxysulfanylacetic acid
CID 144633573
2-amino-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 139298143
ethyl 2-[(2-aminoacetyl)amino]-3,3-dichloro-2-hydroxypropanoate
CID 142629289
2-aminoethane-1,1,1-triol;2-hydroxypropanoic acid
CID 158538146
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-amino-N'-propan-2-ylacetohydrazide
CID 55290917
2-amino-2-hydroxy-3-methylbutanoic acid
CID 5320350
2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
2-aminoacetic acid;ethane-1,2-diamine;2-hydroxypropanoic acid
CID 174737478
2-hydrazinyl-2,3-dihydroxybutanedioic acid
CID 141106740

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid (CID 101080923) is (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid is CC(C)[C@](O)(NC(=O)CN)C(=O)O.
What is the InChIKey of (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid?
The InChIKey is FJJFRLARBNCSIY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(2)7(13,6(11)12)9-5(10)3-8/h4,13H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid?
(2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminoacetyl)amino]-2-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 101080923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).