3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C10H18N2O5 — CID 24812567

IUPAC3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(=O)NCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(13)11-5-7(8(14)15)12-9(16)17-10(2,3)4/h7H,5H2,1-4H3,(H,11,13)(H,12,16)(H,14,15)
InChIKeyLGXBAZHIKJUSCY-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds4

About 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 24812567) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID24812567
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(=O)NCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(13)11-5-7(8(14)15)12-9(16)17-10(2,3)4/h7H,5H2,1-4H3,(H,11,13)(H,12,16)(H,14,15)
InChIKeyLGXBAZHIKJUSCY-UHFFFAOYSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ala-Ala-Ala
CID 5478845
Tert-butoxycarbonylalanine
CID 85082
Alanyl-alanyl-alanyl-alanine
CID 5478846
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
2-N-Boc-aminopropionic acid
CID 268471
2-(2-{[(Tert-butoxy)carbonyl]amino}acetamido)acetic acid
CID 333466
2-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 333522
BOC-D-alanine
CID 637606
3-Amino-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CID 3297195
H-Ala-Ala-Ala-Ala-Ala-OH
CID 5478841
N-(((2-Methyl-2-propanyl)oxy)carbonyl)-L-alanyl-L-alaninamide
CID 5497045
2-[2-(2-Aminopropanoylamino)propanoylamino]propanoic acid
CID 263468

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 24812567) is 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(=O)NCC(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is LGXBAZHIKJUSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6(13)11-5-7(8(14)15)12-9(16)17-10(2,3)4/h7H,5H2,1-4H3,(H,11,13)(H,12,16)(H,14,15).
What are the key properties of 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 24812567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).