2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid

C10H19N3O7S — CID 63858308

IUPAC2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid
SMILESCC(C)(CNC(=O)N(CC(=O)O)CC(=O)O)NS(C)(=O)=O
InChIInChI=1S/C10H19N3O7S/c1-10(2,12-21(3,19)20)6-11-9(18)13(4-7(14)15)5-8(16)17/h12H,4-6H2,1-3H3,(H,11,18)(H,14,15)(H,16,17)
InChIKeyDDNWBLQBQKLBGD-UHFFFAOYSA-N
MW325.34 g/mol
LogP-1.50
Rot. Bonds8

About 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid

2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid (PubChem CID 63858308) has the molecular formula C10H19N3O7S and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid
PubChem CID63858308
Molecular FormulaC10H19N3O7S
Molecular Weight325.34 g/mol
Exact Mass325.09
IUPAC Name2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid
SMILESCC(C)(CNC(=O)N(CC(=O)O)CC(=O)O)NS(C)(=O)=O
InChIInChI=1S/C10H19N3O7S/c1-10(2,12-21(3,19)20)6-11-9(18)13(4-7(14)15)5-8(16)17/h12H,4-6H2,1-3H3,(H,11,18)(H,14,15)(H,16,17)
InChIKeyDDNWBLQBQKLBGD-UHFFFAOYSA-N
XLogP-1.50
TPSA153.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid (CID 63858308) is 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid is CC(C)(CNC(=O)N(CC(=O)O)CC(=O)O)NS(C)(=O)=O.
What is the InChIKey of 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid?
The InChIKey is DDNWBLQBQKLBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O7S/c1-10(2,12-21(3,19)20)6-11-9(18)13(4-7(14)15)5-8(16)17/h12H,4-6H2,1-3H3,(H,11,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid?
2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid has a molecular weight of 325.34 g/mol, XLogP of -1.50, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 63858308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).