2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid

C14H19BrN2O3 — CID 79257084

IUPAC2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-14(2,3)17(9-12(18)19)13(20)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyBJAKTEFCVPNPCK-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.84
Rot. Bonds4

About 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid

2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid (PubChem CID 79257084) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid
PubChem CID79257084
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-14(2,3)17(9-12(18)19)13(20)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyBJAKTEFCVPNPCK-UHFFFAOYSA-N
XLogP2.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methylcarbamoyl-methylamino]acetic acid
CID 61414155
2-[(2-bromophenyl)methylcarbamoyl-(carboxymethyl)amino]acetic acid
CID 63644952
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
CID 61414112
2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 79263728
2-[(2-bromo-6-fluorophenyl)carbamoyl-tert-butylamino]acetic acid
CID 107601936
4-[(2-bromophenyl)methylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164842
5-[(2-bromophenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62048219
2-[tert-butyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005579
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
4-[(2-bromophenyl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001216
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid?
The IUPAC name of 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid (CID 79257084) is 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid?
The InChIKey is BJAKTEFCVPNPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-14(2,3)17(9-12(18)19)13(20)16-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid?
2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid has a molecular weight of 343.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid is sourced from PubChem (CID 79257084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).