2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid

C10H19N3O5S — CID 43656142

IUPAC2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
SMILESCS(=O)(=O)NCCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H19N3O5S/c1-19(17,18)12-5-4-11-10(16)13(7-9(14)15)6-8-2-3-8/h8,12H,2-7H2,1H3,(H,11,16)(H,14,15)
InChIKeyCCVFXBKDLNGZGN-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.96
Rot. Bonds8

About 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid (PubChem CID 43656142) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
PubChem CID43656142
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
SMILESCS(=O)(=O)NCCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H19N3O5S/c1-19(17,18)12-5-4-11-10(16)13(7-9(14)15)6-8-2-3-8/h8,12H,2-7H2,1H3,(H,11,16)(H,14,15)
InChIKeyCCVFXBKDLNGZGN-UHFFFAOYSA-N
XLogP-0.96
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid (CID 43656142) is 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid is CS(=O)(=O)NCCNC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
The InChIKey is CCVFXBKDLNGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-19(17,18)12-5-4-11-10(16)13(7-9(14)15)6-8-2-3-8/h8,12H,2-7H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid has a molecular weight of 293.35 g/mol, XLogP of -0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 43656142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).