2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid

C10H20N2O4 — CID 103930180

IUPAC2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
SMILESCC(C)(C)[C@@H](N)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)8(11)9(15)12-4-5-16-6-7(13)14/h8H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyYFDONPGADAPWPZ-QMMMGPOBSA-N
MW232.28 g/mol
LogP-0.42
Rot. Bonds6

About 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid

2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid (PubChem CID 103930180) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
PubChem CID103930180
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
SMILESCC(C)(C)[C@@H](N)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)8(11)9(15)12-4-5-16-6-7(13)14/h8H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyYFDONPGADAPWPZ-QMMMGPOBSA-N
XLogP-0.42
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 104929441
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid
CID 115426845
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
2-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethoxy]acetic acid
CID 104908717
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid (CID 103930180) is 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid is CC(C)(C)[C@@H](N)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid?
The InChIKey is YFDONPGADAPWPZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)8(11)9(15)12-4-5-16-6-7(13)14/h8H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t8-/m0/s1.
What are the key properties of 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid?
2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid has a molecular weight of 232.28 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 103930180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).