2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid

C13H25N3O4 — CID 79257345

IUPAC2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
SMILESCC(C)CN(CC(N)=O)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H25N3O4/c1-9(2)6-15(7-10(14)17)12(20)16(8-11(18)19)13(3,4)5/h9H,6-8H2,1-5H3,(H2,14,17)(H,18,19)
InChIKeyWHEMOORGHUGMLO-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.73
Rot. Bonds6

About 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid

2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid (PubChem CID 79257345) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
PubChem CID79257345
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
SMILESCC(C)CN(CC(N)=O)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H25N3O4/c1-9(2)6-15(7-10(14)17)12(20)16(8-11(18)19)13(3,4)5/h9H,6-8H2,1-5H3,(H2,14,17)(H,18,19)
InChIKeyWHEMOORGHUGMLO-UHFFFAOYSA-N
XLogP0.73
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
CID 55003671
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428
2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid
CID 79256681
2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
CID 79488647
2-[[ethyl(methyl)carbamoyl]-(2-methylpropyl)amino]acetamide
CID 116655061
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63066154
2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid
CID 79256991
2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
CID 79268237
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55003903
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 114995361
2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid
CID 79269394

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid (CID 79257345) is 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid is CC(C)CN(CC(N)=O)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid?
The InChIKey is WHEMOORGHUGMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-9(2)6-15(7-10(14)17)12(20)16(8-11(18)19)13(3,4)5/h9H,6-8H2,1-5H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid?
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 0.73, 6 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)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid is sourced from PubChem (CID 79257345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).