2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid

C11H23N3O5S — CID 63860059

IUPAC2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H23N3O5S/c1-8(2)14(6-9(15)16)10(17)12-7-11(3,4)13-20(5,18)19/h8,13H,6-7H2,1-5H3,(H,12,17)(H,15,16)
InChIKeyFVWVGBRQBDPMMY-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.18
Rot. Bonds7

About 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid

2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 63860059) has the molecular formula C11H23N3O5S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid
PubChem CID63860059
Molecular FormulaC11H23N3O5S
Molecular Weight309.39 g/mol
Exact Mass309.14
IUPAC Name2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H23N3O5S/c1-8(2)14(6-9(15)16)10(17)12-7-11(3,4)13-20(5,18)19/h8,13H,6-7H2,1-5H3,(H,12,17)(H,15,16)
InChIKeyFVWVGBRQBDPMMY-UHFFFAOYSA-N
XLogP-0.18
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]propanoic acid
CID 63860060
2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid
CID 63858308
N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
CID 107030203
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
CID 78952829
2-[propan-2-yl(prop-2-ynylcarbamoyl)amino]acetic acid
CID 61192933
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
CID 63865932
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(propan-2-ylamino)acetamide
CID 63865581
(2S)-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]hexanoic acid
CID 107146129
3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
CID 79397099
(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid
CID 107827881
(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid
CID 63859891
2-[carboxymethyl-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]amino]acetic acid
CID 79556078

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid (CID 63860059) is 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is FVWVGBRQBDPMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S/c1-8(2)14(6-9(15)16)10(17)12-7-11(3,4)13-20(5,18)19/h8,13H,6-7H2,1-5H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid?
2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 309.39 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 63860059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).