(2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid

C10H20N2O3S2 — CID 175691591

IUPAC(2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid
SMILESCC(C)(S)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)(C)S
InChIInChI=1S/C10H20N2O3S2/c1-9(2,16)5(11)7(13)12-6(8(14)15)10(3,4)17/h5-6,16-17H,11H2,1-4H3,(H,12,13)(H,14,15)/t5-,6-/m1/s1
InChIKeyHQLNPTZQZYLBPI-PHDIDXHHSA-N
MW280.42 g/mol
LogP0.30
Rot. Bonds5

About (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid

(2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid (PubChem CID 175691591) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid
PubChem CID175691591
Molecular FormulaC10H20N2O3S2
Molecular Weight280.42 g/mol
Exact Mass280.09
IUPAC Name(2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid
SMILESCC(C)(S)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)(C)S
InChIInChI=1S/C10H20N2O3S2/c1-9(2,16)5(11)7(13)12-6(8(14)15)10(3,4)17/h5-6,16-17H,11H2,1-4H3,(H,12,13)(H,14,15)/t5-,6-/m1/s1
InChIKeyHQLNPTZQZYLBPI-PHDIDXHHSA-N
XLogP0.30
TPSA92.42 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-amino-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-4-oxobutanoic acid
CID 175691848
2-(2,2-dimethylpropanoylamino)-3-methyl-3-sulfanylbutanoic acid
CID 16775212
3-methyl-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylbutanoic acid
CID 142441029
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese
CID 175737812
tetrakis((2S)-2-amino-3-methyl-3-sulfanylbutanoic acid);sulfane
CID 173050737
2-acetamido-3-methyl-3-sulfanylbutanoic acid;2-acetamido-3-methyl-3-sulfanylpentanoic acid;2-amino-3-methyl-3-sulfanylbutanoic acid;2-formamido-3-methyl-3-sulfanylbutanoic acid
CID 158474519
bis((2R)-2-amino-3-methyl-3-sulfanylbutanoic acid);mercury;sulfane
CID 173462825
(2R)-2-[[(2S)-2-amino-3-methyl-3-sulfanylbutanoyl]sulfanylselanylsulfanylamino]-3-methyl-3-sulfanylbutanoic acid
CID 175963937
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
2-[(2-methoxyacetyl)amino]-3-methyl-3-sulfanylbutanoic acid
CID 16775534
3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]-3-sulfanylbutanoic acid
CID 16775068
2-(cyclobutanecarbonylamino)-3-methyl-3-sulfanylbutanoic acid
CID 16776269

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid (CID 175691591) is (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid is CC(C)(S)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)(C)S.
What is the InChIKey of (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid?
The InChIKey is HQLNPTZQZYLBPI-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-9(2,16)5(11)7(13)12-6(8(14)15)10(3,4)17/h5-6,16-17H,11H2,1-4H3,(H,12,13)(H,14,15)/t5-,6-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid?
(2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid has a molecular weight of 280.42 g/mol, XLogP of 0.30, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid is sourced from PubChem (CID 175691591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).