bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate

C10H18BrN3O4 — CID 175344037

IUPACbromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate
SMILESCC(C)(CCNC(=O)CNC(=O)CN)C(=O)OBr
InChIInChI=1S/C10H18BrN3O4/c1-10(2,9(17)18-11)3-4-13-8(16)6-14-7(15)5-12/h3-6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyPJQZGFUEAHVJAS-UHFFFAOYSA-N
MW324.18 g/mol
LogP-0.55
Rot. Bonds7

About bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate

bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate (PubChem CID 175344037) has the molecular formula C10H18BrN3O4 and a molecular weight of 324.18 g/mol. Its IUPAC name is bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate.

Molecular Properties

Compound Namebromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate
PubChem CID175344037
Molecular FormulaC10H18BrN3O4
Molecular Weight324.18 g/mol
Exact Mass323.05
IUPAC Namebromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate
SMILESCC(C)(CCNC(=O)CNC(=O)CN)C(=O)OBr
InChIInChI=1S/C10H18BrN3O4/c1-10(2,9(17)18-11)3-4-13-8(16)6-14-7(15)5-12/h3-6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyPJQZGFUEAHVJAS-UHFFFAOYSA-N
XLogP-0.55
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-(bromomethyl)-2-methylbutanoic acid
CID 175344038
2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide
CID 115519305
2-amino-N-[2-[3-[(2-methylpropan-2-yl)oxy]propylamino]-2-oxoethyl]acetamide
CID 147267401
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 23591745
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
2-amino-N-[2-(2-ethoxyethylamino)-2-oxoethyl]acetamide
CID 60846761
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate
CID 60851549
2-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]acetamide
CID 83111303
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
2-amino-N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]acetamide
CID 61274286
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724

Frequently Asked Questions

What is the IUPAC name of bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate?
The IUPAC name of bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate (CID 175344037) is bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate.
What is the SMILES notation for bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate?
The canonical SMILES for bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate is CC(C)(CCNC(=O)CNC(=O)CN)C(=O)OBr.
What is the InChIKey of bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate?
The InChIKey is PJQZGFUEAHVJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O4/c1-10(2,9(17)18-11)3-4-13-8(16)6-14-7(15)5-12/h3-6,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate?
bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate has a molecular weight of 324.18 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate is sourced from PubChem (CID 175344037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).