2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid

C10H20N2O3 — CID 79268237

IUPAC2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
SMILESCC(CN)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(5-11)9(15)12(6-8(13)14)10(2,3)4/h7H,5-6,11H2,1-4H3,(H,13,14)
InChIKeyPDVMETJTPLLZQN-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.29
Rot. Bonds4

About 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid

2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid (PubChem CID 79268237) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
PubChem CID79268237
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
SMILESCC(CN)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(5-11)9(15)12(6-8(13)14)10(2,3)4/h7H,5-6,11H2,1-4H3,(H,13,14)
InChIKeyPDVMETJTPLLZQN-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
CID 79268862
2-[tert-butyl-[2-(carbamoylamino)-3-methylpentanoyl]amino]acetic acid
CID 79266303
2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid
CID 79256681
2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid
CID 79269394
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
CID 79257345
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-tert-butylamino]acetic acid
CID 104905324
2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 79257258
2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79256590
N-(4-aminobutyl)-N-tert-butyl-2-methylbutanamide
CID 89022443
2-[tert-butyl(but-3-yn-2-ylcarbamoyl)amino]acetic acid
CID 114418439
2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
CID 103500285
2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
CID 79256503

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid?
The IUPAC name of 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid (CID 79268237) is 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid is CC(CN)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid?
The InChIKey is PDVMETJTPLLZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(5-11)9(15)12(6-8(13)14)10(2,3)4/h7H,5-6,11H2,1-4H3,(H,13,14).
What are the key properties of 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid?
2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid is sourced from PubChem (CID 79268237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).