2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid

C12H23N3O4 — CID 79256681

IUPAC2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid
SMILESCC(C)N(CC(N)=O)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-8(2)14(6-9(13)16)11(19)15(7-10(17)18)12(3,4)5/h8H,6-7H2,1-5H3,(H2,13,16)(H,17,18)
InChIKeyANFUCPRQZZFHAU-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.49
Rot. Bonds5

About 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid

2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid (PubChem CID 79256681) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid
PubChem CID79256681
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid
SMILESCC(C)N(CC(N)=O)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-8(2)14(6-9(13)16)11(19)15(7-10(17)18)12(3,4)5/h8H,6-7H2,1-5H3,(H2,13,16)(H,17,18)
InChIKeyANFUCPRQZZFHAU-UHFFFAOYSA-N
XLogP0.49
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
CID 79257345
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
CID 79488647
2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
CID 79268237
4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methylpentanoic acid
CID 62049082
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 79385927
3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide
CID 55117201
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid
CID 63832512
3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid
CID 62210644
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584
2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid
CID 79256991

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid (CID 79256681) is 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid is CC(C)N(CC(N)=O)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid?
The InChIKey is ANFUCPRQZZFHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-8(2)14(6-9(13)16)11(19)15(7-10(17)18)12(3,4)5/h8H,6-7H2,1-5H3,(H2,13,16)(H,17,18).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid?
2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid is sourced from PubChem (CID 79256681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).